4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide

C22H29NO2 — CID 100714446

IUPAC4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NCCCc2ccc(C)cc2)cc1C(C)C
InChIInChI=1S/C22H29NO2/c1-15(2)19-14-20(17(4)13-21(19)25-5)22(24)23-12-6-7-18-10-8-16(3)9-11-18/h8-11,13-15H,6-7,12H2,1-5H3,(H,23,24)
InChIKeyDODBKIBOIFHULP-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.80
Rot. Bonds7

About 4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide

4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide (PubChem CID 100714446) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide
PubChem CID100714446
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NCCCc2ccc(C)cc2)cc1C(C)C
InChIInChI=1S/C22H29NO2/c1-15(2)19-14-20(17(4)13-21(19)25-5)22(24)23-12-6-7-18-10-8-16(3)9-11-18/h8-11,13-15H,6-7,12H2,1-5H3,(H,23,24)
InChIKeyDODBKIBOIFHULP-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide
CID 100715842
N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 110761820
N-[3-(4-methoxyphenyl)propyl]-2,4,5-trimethylbenzamide
CID 84534524
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
CID 100573271
4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzenesulfonamide
CID 100557539
N-(2-tert-butylsulfanylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100713562
N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715734
2-methyl-N-[3-(4-methylphenyl)propyl]propanamide
CID 56920541
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716496
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715760

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide (CID 100714446) is 4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide is COc1cc(C)c(C(=O)NCCCc2ccc(C)cc2)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide?
The InChIKey is DODBKIBOIFHULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-15(2)19-14-20(17(4)13-21(19)25-5)22(24)23-12-6-7-18-10-8-16(3)9-11-18/h8-11,13-15H,6-7,12H2,1-5H3,(H,23,24).
What are the key properties of 4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide?
4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide has a molecular weight of 339.48 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[3-(4-methylphenyl)propyl]-5-propan-2-ylbenzamide is sourced from PubChem (CID 100714446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).