3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide

C18H21NO4 — CID 2991890

IUPAC3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-21-15-11-14(12-16(22-2)18(15)23-3)19-17(20)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,19,20)
InChIKeyXJYUARBXNQRWGB-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.28
Rot. Bonds7

About 3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide

3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2991890) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2991890
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-21-15-11-14(12-16(22-2)18(15)23-3)19-17(20)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,19,20)
InChIKeyXJYUARBXNQRWGB-UHFFFAOYSA-N
XLogP3.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108985137
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
CID 17154620
4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 110356184
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16590579
2-[2-phenylethyl(prop-2-enyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 52783393
N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 6490974

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide (CID 2991890) is 3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is XJYUARBXNQRWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-15-11-14(12-16(22-2)18(15)23-3)19-17(20)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,19,20).
What are the key properties of 3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide?
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 315.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2991890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).