2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide

C21H27NO4 — CID 23739276

IUPAC2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
SMILESCOc1cc(CCC(C)NC(=O)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H27NO4/c1-15(22-20(23)14-16-8-6-5-7-9-16)10-11-17-12-18(24-2)21(26-4)19(13-17)25-3/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,22,23)
InChIKeyWLPCCXBYBQNXJQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.39
Rot. Bonds9

About 2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide

2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide (PubChem CID 23739276) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
PubChem CID23739276
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
SMILESCOc1cc(CCC(C)NC(=O)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H27NO4/c1-15(22-20(23)14-16-8-6-5-7-9-16)10-11-17-12-18(24-2)21(26-4)19(13-17)25-3/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,22,23)
InChIKeyWLPCCXBYBQNXJQ-UHFFFAOYSA-N
XLogP3.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7706498
N-[4-(3,4-difluorophenyl)butan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 86894232
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55588897
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
(2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid
CID 119368756
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide
CID 175712395
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
CID 119367644

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide (CID 23739276) is 2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide is COc1cc(CCC(C)NC(=O)Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide?
The InChIKey is WLPCCXBYBQNXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-15(22-20(23)14-16-8-6-5-7-9-16)10-11-17-12-18(24-2)21(26-4)19(13-17)25-3/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,22,23).
What are the key properties of 2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide?
2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide is sourced from PubChem (CID 23739276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).