2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide

C19H23NO4 — CID 175712395

IUPAC2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide
SMILESCOc1cc(CCC(C(N)=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H23NO4/c1-22-16-11-13(12-17(23-2)18(16)24-3)9-10-15(19(20)21)14-7-5-4-6-8-14/h4-8,11-12,15H,9-10H2,1-3H3,(H2,20,21)
InChIKeyUXIQBHGNQNYPRG-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.91
Rot. Bonds8

About 2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide

2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide (PubChem CID 175712395) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide.

Molecular Properties

Compound Name2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide
PubChem CID175712395
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide
SMILESCOc1cc(CCC(C(N)=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H23NO4/c1-22-16-11-13(12-17(23-2)18(16)24-3)9-10-15(19(20)21)14-7-5-4-6-8-14/h4-8,11-12,15H,9-10H2,1-3H3,(H2,20,21)
InChIKeyUXIQBHGNQNYPRG-UHFFFAOYSA-N
XLogP2.91
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-hydroxy-4,5-dimethoxyphenyl)-2-(4-methoxyphenyl)pentanamide
CID 67845348
2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
CID 23739276
4-(N-ethylanilino)-2-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride
CID 19046560
2-amino-2-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119272323
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
CID 12722073
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
CID 119367644
3-(3-bromo-4,5-dimethoxyphenyl)-2-phenylpropanoic acid
CID 20989563
N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55588897
(2R)-2-(4-tert-butylphenyl)-4-phenylbutanamide
CID 129383585
2-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid
CID 83955719

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide?
The IUPAC name of 2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide (CID 175712395) is 2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide.
What is the SMILES notation for 2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide?
The canonical SMILES for 2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide is COc1cc(CCC(C(N)=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide?
The InChIKey is UXIQBHGNQNYPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-22-16-11-13(12-17(23-2)18(16)24-3)9-10-15(19(20)21)14-7-5-4-6-8-14/h4-8,11-12,15H,9-10H2,1-3H3,(H2,20,21).
What are the key properties of 2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide?
2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide has a molecular weight of 329.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide is sourced from PubChem (CID 175712395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).