3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide

C23H31NO3 — CID 38005769

IUPAC3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OCC
InChIInChI=1S/C23H31NO3/c1-6-26-21-12-10-19(15-22(21)27-7-2)11-13-23(25)24-18(5)20-14-16(3)8-9-17(20)4/h8-10,12,14-15,18H,6-7,11,13H2,1-5H3,(H,24,25)/t18-/m0/s1
InChIKeySODURQNVUGBZEX-SFHVURJKSA-N
MW369.51 g/mol
LogP4.91
Rot. Bonds9

About 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide

3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide (PubChem CID 38005769) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
PubChem CID38005769
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OCC
InChIInChI=1S/C23H31NO3/c1-6-26-21-12-10-19(15-22(21)27-7-2)11-13-23(25)24-18(5)20-14-16(3)8-9-17(20)4/h8-10,12,14-15,18H,6-7,11,13H2,1-5H3,(H,24,25)/t18-/m0/s1
InChIKeySODURQNVUGBZEX-SFHVURJKSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 17285343
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 93239790
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132658147
3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 2071769
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9262362

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide (CID 38005769) is 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide is CCOc1ccc(CCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide?
The InChIKey is SODURQNVUGBZEX-SFHVURJKSA-N. The full InChI is InChI=1S/C23H31NO3/c1-6-26-21-12-10-19(15-22(21)27-7-2)11-13-23(25)24-18(5)20-14-16(3)8-9-17(20)4/h8-10,12,14-15,18H,6-7,11,13H2,1-5H3,(H,24,25)/t18-/m0/s1.
What are the key properties of 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide?
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 38005769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).