N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid

C139H189F2N11O29 — CID 158123671

IUPACN,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid
SMILESCCCOc1cc(C)cc(F)c1C(=O)O.CCCc1cc(C)ccc1C(=O)NC.CCCc1cc(C)ccc1C(=O)NCCO.CCCc1cc(C)ccc1C(=O)NCCOC.CCOc1c(C(=O)O)ccc(C)c1F.CCOc1cc(C)ccc1C(=O)C(=O)O.CCOc1cc(C)ccc1C(=O)NC.CCOc1cc(C)ccc1C(=O)NCCO.CCOc1cc(C)ccc1C(=O)NCCOC.CNc1cc(C)ccc1C(=O)NCCO.CNc1cc(C)ccc1C(=O)NCCOC.CNc1cc(C)ccc1C(=O)O
InChIInChI=1S/C14H21NO2.C13H19NO3.C13H19NO2.C12H18N2O2.C12H17NO3.C12H17NO.C11H13FO3.C11H16N2O2.C11H15NO2.C11H12O4.C10H11FO3.C9H11NO2/c1-4-5-12-10-11(2)6-7-13(12)14(16)15-8-9-17-3;1-4-17-12-9-10(2)5-6-11(12)13(15)14-7-8-16-3;1-3-4-11-9-10(2)5-6-12(11)13(16)14-7-8-15;1-9-4-5-10(11(8-9)13-2)12(15)14-6-7-16-3;1-3-16-11-8-9(2)4-5-10(11)12(15)13-6-7-14;1-4-5-10-8-9(2)6-7-11(10)12(14)13-3;1-3-4-15-9-6-7(2)5-8(12)10(9)11(13)14;1-8-3-4-9(10(7-8)12-2)11(15)13-5-6-14;1-4-14-10-7-8(2)5-6-9(10)11(13)12-3;1-3-15-9-6-7(2)4-5-8(9)10(12)11(13)14;1-3-14-9-7(10(12)13)5-4-6(2)8(9)11;1-6-3-4-7(9(11)12)8(5-6)10-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16);5-6,9H,4,7-8H2,1-3H3,(H,14,15);5-6,9,15H,3-4,7-8H2,1-2H3,(H,14,16);4-5,8,13H,6-7H2,1-3H3,(H,14,15);4-5,8,14H,3,6-7H2,1-2H3,(H,13,15);6-8H,4-5H2,1-3H3,(H,13,14);5-6H,3-4H2,1-2H3,(H,13,14);3-4,7,12,14H,5-6H2,1-2H3,(H,13,15);5-7H,4H2,1-3H3,(H,12,13);4-6H,3H2,1-2H3,(H,13,14);4-5H,3H2,1-2H3,(H,12,13);3-5,10H,1-2H3,(H,11,12)
InChIKeyFRXAKDPCGKYCHN-UHFFFAOYSA-N
MW2516.08 g/mol
LogP21.36
Rot. Bonds50

About N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid

N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid (PubChem CID 158123671) has the molecular formula C139H189F2N11O29 and a molecular weight of 2516.08 g/mol. Its IUPAC name is N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid.

Molecular Properties

Compound NameN,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid
PubChem CID158123671
Molecular FormulaC139H189F2N11O29
Molecular Weight2516.08 g/mol
Exact Mass2514.36
IUPAC NameN,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid
SMILESCCCOc1cc(C)cc(F)c1C(=O)O.CCCc1cc(C)ccc1C(=O)NC.CCCc1cc(C)ccc1C(=O)NCCO.CCCc1cc(C)ccc1C(=O)NCCOC.CCOc1c(C(=O)O)ccc(C)c1F.CCOc1cc(C)ccc1C(=O)C(=O)O.CCOc1cc(C)ccc1C(=O)NC.CCOc1cc(C)ccc1C(=O)NCCO.CCOc1cc(C)ccc1C(=O)NCCOC.CNc1cc(C)ccc1C(=O)NCCO.CNc1cc(C)ccc1C(=O)NCCOC.CNc1cc(C)ccc1C(=O)O
InChIInChI=1S/C14H21NO2.C13H19NO3.C13H19NO2.C12H18N2O2.C12H17NO3.C12H17NO.C11H13FO3.C11H16N2O2.C11H15NO2.C11H12O4.C10H11FO3.C9H11NO2/c1-4-5-12-10-11(2)6-7-13(12)14(16)15-8-9-17-3;1-4-17-12-9-10(2)5-6-11(12)13(15)14-7-8-16-3;1-3-4-11-9-10(2)5-6-12(11)13(16)14-7-8-15;1-9-4-5-10(11(8-9)13-2)12(15)14-6-7-16-3;1-3-16-11-8-9(2)4-5-10(11)12(15)13-6-7-14;1-4-5-10-8-9(2)6-7-11(10)12(14)13-3;1-3-4-15-9-6-7(2)5-8(12)10(9)11(13)14;1-8-3-4-9(10(7-8)12-2)11(15)13-5-6-14;1-4-14-10-7-8(2)5-6-9(10)11(13)12-3;1-3-15-9-6-7(2)4-5-8(9)10(12)11(13)14;1-3-14-9-7(10(12)13)5-4-6(2)8(9)11;1-6-3-4-7(9(11)12)8(5-6)10-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16);5-6,9H,4,7-8H2,1-3H3,(H,14,15);5-6,9,15H,3-4,7-8H2,1-2H3,(H,14,16);4-5,8,13H,6-7H2,1-3H3,(H,14,15);4-5,8,14H,3,6-7H2,1-2H3,(H,13,15);6-8H,4-5H2,1-3H3,(H,13,14);5-6H,3-4H2,1-2H3,(H,13,14);3-4,7,12,14H,5-6H2,1-2H3,(H,13,15);5-7H,4H2,1-3H3,(H,12,13);4-6H,3H2,1-2H3,(H,13,14);4-5H,3H2,1-2H3,(H,12,13);3-5,10H,1-2H3,(H,11,12)
InChIKeyFRXAKDPCGKYCHN-UHFFFAOYSA-N
XLogP21.36
TPSA578.92 Ų
H-Bond Donors18
H-Bond Acceptors28
Rotatable Bonds50
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002516.08
LogP ≤ 521.36
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid?
The IUPAC name of N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid (CID 158123671) is N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid.
What is the SMILES notation for N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid?
The canonical SMILES for N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid is CCCOc1cc(C)cc(F)c1C(=O)O.CCCc1cc(C)ccc1C(=O)NC.CCCc1cc(C)ccc1C(=O)NCCO.CCCc1cc(C)ccc1C(=O)NCCOC.CCOc1c(C(=O)O)ccc(C)c1F.CCOc1cc(C)ccc1C(=O)C(=O)O.CCOc1cc(C)ccc1C(=O)NC.CCOc1cc(C)ccc1C(=O)NCCO.CCOc1cc(C)ccc1C(=O)NCCOC.CNc1cc(C)ccc1C(=O)NCCO.CNc1cc(C)ccc1C(=O)NCCOC.CNc1cc(C)ccc1C(=O)O.
What is the InChIKey of N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid?
The InChIKey is FRXAKDPCGKYCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.C13H19NO3.C13H19NO2.C12H18N2O2.C12H17NO3.C12H17NO.C11H13FO3.C11H16N2O2.C11H15NO2.C11H12O4.C10H11FO3.C9H11NO2/c1-4-5-12-10-11(2)6-7-13(12)14(16)15-8-9-17-3;1-4-17-12-9-10(2)5-6-11(12)13(15)14-7-8-16-3;1-3-4-11-9-10(2)5-6-12(11)13(16)14-7-8-15;1-9-4-5-10(11(8-9)13-2)12(15)14-6-7-16-3;1-3-16-11-8-9(2)4-5-10(11)12(15)13-6-7-14;1-4-5-10-8-9(2)6-7-11(10)12(14)13-3;1-3-4-15-9-6-7(2)5-8(12)10(9)11(13)14;1-8-3-4-9(10(7-8)12-2)11(15)13-5-6-14;1-4-14-10-7-8(2)5-6-9(10)11(13)12-3;1-3-15-9-6-7(2)4-5-8(9)10(12)11(13)14;1-3-14-9-7(10(12)13)5-4-6(2)8(9)11;1-6-3-4-7(9(11)12)8(5-6)10-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16);5-6,9H,4,7-8H2,1-3H3,(H,14,15);5-6,9,15H,3-4,7-8H2,1-2H3,(H,14,16);4-5,8,13H,6-7H2,1-3H3,(H,14,15);4-5,8,14H,3,6-7H2,1-2H3,(H,13,15);6-8H,4-5H2,1-3H3,(H,13,14);5-6H,3-4H2,1-2H3,(H,13,14);3-4,7,12,14H,5-6H2,1-2H3,(H,13,15);5-7H,4H2,1-3H3,(H,12,13);4-6H,3H2,1-2H3,(H,13,14);4-5H,3H2,1-2H3,(H,12,13);3-5,10H,1-2H3,(H,11,12).
What are the key properties of N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid?
N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid has a molecular weight of 2516.08 g/mol, XLogP of 21.36, 50 rotatable bonds, 18 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-propylbenzamide;2-ethoxy-N,4-dimethylbenzamide;2-ethoxy-3-fluoro-4-methylbenzoic acid;2-ethoxy-N-(2-hydroxyethyl)-4-methylbenzamide;2-ethoxy-N-(2-methoxyethyl)-4-methylbenzamide;2-(2-ethoxy-4-methylphenyl)-2-oxoacetic acid;2-fluoro-4-methyl-6-propoxybenzoic acid;N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-hydroxyethyl)-4-methyl-2-propylbenzamide;N-(2-methoxyethyl)-4-methyl-2-(methylamino)benzamide;N-(2-methoxyethyl)-4-methyl-2-propylbenzamide;4-methyl-2-(methylamino)benzoic acid is sourced from PubChem (CID 158123671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).