N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

C27H31NO4 — CID 55588897

IUPACN-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NC(C)C(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C27H31NO4/c1-19(26(21-11-7-5-8-12-21)22-13-9-6-10-14-22)28-25(29)16-15-20-17-23(30-2)27(32-4)24(18-20)31-3/h5-14,17-19,26H,15-16H2,1-4H3,(H,28,29)
InChIKeyOQVFQWLVFDUFJK-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.98
Rot. Bonds10

About N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 55588897) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID55588897
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC NameN-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NC(C)C(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C27H31NO4/c1-19(26(21-11-7-5-8-12-21)22-13-9-6-10-14-22)28-25(29)16-15-20-17-23(30-2)27(32-4)24(18-20)31-3/h5-14,17-19,26H,15-16H2,1-4H3,(H,28,29)
InChIKeyOQVFQWLVFDUFJK-UHFFFAOYSA-N
XLogP4.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
CID 119367644
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
2-(3,4-dimethoxyphenyl)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 46431995
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776286
N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33466694
2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
CID 23739276
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46448506
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9262362
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890

Frequently Asked Questions

What is the IUPAC name of N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 55588897) is N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NC(C)C(c2ccccc2)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is OQVFQWLVFDUFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-19(26(21-11-7-5-8-12-21)22-13-9-6-10-14-22)28-25(29)16-15-20-17-23(30-2)27(32-4)24(18-20)31-3/h5-14,17-19,26H,15-16H2,1-4H3,(H,28,29).
What are the key properties of N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 433.55 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55588897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).