N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide

C19H23NO3 — CID 22026290

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)c2ccccc2)cc1OC
InChIInChI=1S/C19H23NO3/c1-14(16-7-5-4-6-8-16)19(21)20-12-11-15-9-10-17(22-2)18(13-15)23-3/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)
InChIKeyCKBNVAMHFNCNIJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.17
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide (PubChem CID 22026290) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
PubChem CID22026290
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
SMILESCOc1ccc(CCNC(=O)C(C)c2ccccc2)cc1OC
InChIInChI=1S/C19H23NO3/c1-14(16-7-5-4-6-8-16)19(21)20-12-11-15-9-10-17(22-2)18(13-15)23-3/h4-10,13-14H,11-12H2,1-3H3,(H,20,21)
InChIKeyCKBNVAMHFNCNIJ-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl] methanesulfonate
CID 54530305
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
(2R)-2-benzylsulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 2279420
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323
(2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenylacetic acid
CID 57178217
N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide
CID 108503366
2-[acetyl(benzyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 133148863
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenoxybutanamide
CID 2862617
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 7811570
2-(benzylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 55543538

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide (CID 22026290) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide is COc1ccc(CCNC(=O)C(C)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide?
The InChIKey is CKBNVAMHFNCNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(16-7-5-4-6-8-16)19(21)20-12-11-15-9-10-17(22-2)18(13-15)23-3/h4-10,13-14H,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 22026290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).