N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide)

C138H190F2N28O17 — CID 158100632

IUPACN,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide)
SMILESCCCN(C)C(=O)c1cc(C)cc(NC)c1.CCCN(C)C(=O)c1cc(NC)ccc1OC.CNC(=O)c1cc(F)cc(NC)c1.CNC(=O)c1cc(NC)ccc1OC.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(F)cc(C(=O)N(C)C)c1.CNc1ccc(OC)c(C(=O)N(C)C)c1
InChIInChI=1S/C13H20N2O2.C13H20N2O.C11H16N2O2.C10H13FN2O.C10H14N2O2.C9H11FN2O.8C9H12N2O/c1-5-8-15(3)13(16)11-9-10(14-2)6-7-12(11)17-4;1-5-6-15(4)13(16)11-7-10(2)8-12(9-11)14-3;1-12-8-5-6-10(15-4)9(7-8)11(14)13(2)3;1-12-9-5-7(4-8(11)6-9)10(14)13(2)3;1-11-7-4-5-9(14-3)8(6-7)10(13)12-2;1-11-8-4-6(9(13)12-2)3-7(10)5-8;8*1-10-8-5-3-4-7(6-8)9(12)11-2/h6-7,9,14H,5,8H2,1-4H3;7-9,14H,5-6H2,1-4H3;5-7,12H,1-4H3;4-6,12H,1-3H3;4-6,11H,1-3H3,(H,12,13);3-5,11H,1-2H3,(H,12,13);8*3-6,10H,1-2H3,(H,11,12)
InChIKeyFPFFQSVABKYAMR-UHFFFAOYSA-N
MW2551.21 g/mol
LogP18.77
Rot. Bonds35

About N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide)

N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide) (PubChem CID 158100632) has the molecular formula C138H190F2N28O17 and a molecular weight of 2551.21 g/mol. Its IUPAC name is N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide).

Molecular Properties

Compound NameN,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide)
PubChem CID158100632
Molecular FormulaC138H190F2N28O17
Molecular Weight2551.21 g/mol
Exact Mass2549.48
IUPAC NameN,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide)
SMILESCCCN(C)C(=O)c1cc(C)cc(NC)c1.CCCN(C)C(=O)c1cc(NC)ccc1OC.CNC(=O)c1cc(F)cc(NC)c1.CNC(=O)c1cc(NC)ccc1OC.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(F)cc(C(=O)N(C)C)c1.CNc1ccc(OC)c(C(=O)N(C)C)c1
InChIInChI=1S/C13H20N2O2.C13H20N2O.C11H16N2O2.C10H13FN2O.C10H14N2O2.C9H11FN2O.8C9H12N2O/c1-5-8-15(3)13(16)11-9-10(14-2)6-7-12(11)17-4;1-5-6-15(4)13(16)11-7-10(2)8-12(9-11)14-3;1-12-8-5-6-10(15-4)9(7-8)11(14)13(2)3;1-12-9-5-7(4-8(11)6-9)10(14)13(2)3;1-11-7-4-5-9(14-3)8(6-7)10(13)12-2;1-11-8-4-6(9(13)12-2)3-7(10)5-8;8*1-10-8-5-3-4-7(6-8)9(12)11-2/h6-7,9,14H,5,8H2,1-4H3;7-9,14H,5-6H2,1-4H3;5-7,12H,1-4H3;4-6,12H,1-3H3;4-6,11H,1-3H3,(H,12,13);3-5,11H,1-2H3,(H,12,13);8*3-6,10H,1-2H3,(H,11,12)
InChIKeyFPFFQSVABKYAMR-UHFFFAOYSA-N
XLogP18.77
TPSA568.35 Ų
H-Bond Donors24
H-Bond Acceptors31
Rotatable Bonds35
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002551.21
LogP ≤ 518.77
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide)?
The IUPAC name of N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide) (CID 158100632) is N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide).
What is the SMILES notation for N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide)?
The canonical SMILES for N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide) is CCCN(C)C(=O)c1cc(C)cc(NC)c1.CCCN(C)C(=O)c1cc(NC)ccc1OC.CNC(=O)c1cc(F)cc(NC)c1.CNC(=O)c1cc(NC)ccc1OC.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(F)cc(C(=O)N(C)C)c1.CNc1ccc(OC)c(C(=O)N(C)C)c1.
What is the InChIKey of N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide)?
The InChIKey is FPFFQSVABKYAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.C13H20N2O.C11H16N2O2.C10H13FN2O.C10H14N2O2.C9H11FN2O.8C9H12N2O/c1-5-8-15(3)13(16)11-9-10(14-2)6-7-12(11)17-4;1-5-6-15(4)13(16)11-7-10(2)8-12(9-11)14-3;1-12-8-5-6-10(15-4)9(7-8)11(14)13(2)3;1-12-9-5-7(4-8(11)6-9)10(14)13(2)3;1-11-7-4-5-9(14-3)8(6-7)10(13)12-2;1-11-8-4-6(9(13)12-2)3-7(10)5-8;8*1-10-8-5-3-4-7(6-8)9(12)11-2/h6-7,9,14H,5,8H2,1-4H3;7-9,14H,5-6H2,1-4H3;5-7,12H,1-4H3;4-6,12H,1-3H3;4-6,11H,1-3H3,(H,12,13);3-5,11H,1-2H3,(H,12,13);8*3-6,10H,1-2H3,(H,11,12).
What are the key properties of N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide)?
N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide) has a molecular weight of 2551.21 g/mol, XLogP of 18.77, 35 rotatable bonds, 24 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-(methylamino)-N-propylbenzamide;3-fluoro-N,N-dimethyl-5-(methylamino)benzamide;3-fluoro-N-methyl-5-(methylamino)benzamide;2-methoxy-N,N-dimethyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)benzamide;2-methoxy-N-methyl-5-(methylamino)-N-propylbenzamide;octakis(N-methyl-3-(methylamino)benzamide) is sourced from PubChem (CID 158100632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).