2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide

C19H23NO3 — CID 171372657

IUPAC2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide
SMILESCOc1ccc(C(C)C(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C19H23NO3/c1-13(16-10-11-17(22-3)18(12-16)23-4)19(21)20-14(2)15-8-6-5-7-9-15/h5-14H,1-4H3,(H,20,21)
InChIKeySVWMLQKOLGZXKY-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.68
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide

2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide (PubChem CID 171372657) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide
PubChem CID171372657
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide
SMILESCOc1ccc(C(C)C(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C19H23NO3/c1-13(16-10-11-17(22-3)18(12-16)23-4)19(21)20-14(2)15-8-6-5-7-9-15/h5-14H,1-4H3,(H,20,21)
InChIKeySVWMLQKOLGZXKY-UHFFFAOYSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119720013
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
2-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 142888646
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99903169
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 124548042
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 28573177
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119720016

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide (CID 171372657) is 2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide is COc1ccc(C(C)C(=O)NC(C)c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide?
The InChIKey is SVWMLQKOLGZXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13(16-10-11-17(22-3)18(12-16)23-4)19(21)20-14(2)15-8-6-5-7-9-15/h5-14H,1-4H3,(H,20,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide?
2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 171372657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).