N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C20H25NO4 — CID 9330254

IUPACN-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N[C@H](C)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-14(16-8-6-5-7-9-16)21-19(22)11-10-15-12-17(23-2)20(25-4)18(13-15)24-3/h5-9,12-14H,10-11H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyNXCJRTURHXWYSA-CQSZACIVSA-N
MW343.42 g/mol
LogP3.52
Rot. Bonds8

About N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 9330254) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID9330254
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N[C@H](C)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-14(16-8-6-5-7-9-16)21-19(22)11-10-15-12-17(23-2)20(25-4)18(13-15)24-3/h5-9,12-14H,10-11H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyNXCJRTURHXWYSA-CQSZACIVSA-N
XLogP3.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55588897
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
(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
3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46448506
N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33466694
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9262362
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-phenylethyl)propanamide
CID 5166106
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776286
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7948779

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 9330254) is N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)N[C@H](C)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is NXCJRTURHXWYSA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14(16-8-6-5-7-9-16)21-19(22)11-10-15-12-17(23-2)20(25-4)18(13-15)24-3/h5-9,12-14H,10-11H2,1-4H3,(H,21,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 343.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 9330254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).