2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide

C31H38N2O3 — CID 133201163

IUPAC2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(CC)cc1
InChIInChI=1S/C31H38N2O3/c1-4-20-32-31(35)29(22-26-10-7-6-8-11-26)33(23-27-12-9-13-28(21-27)36-3)30(34)19-18-25-16-14-24(5-2)15-17-25/h6-17,21,29H,4-5,18-20,22-23H2,1-3H3,(H,32,35)
InChIKeyBSSMJWHSLBOHRM-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.36
Rot. Bonds13

About 2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide

2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide (PubChem CID 133201163) has the molecular formula C31H38N2O3 and a molecular weight of 486.66 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
PubChem CID133201163
Molecular FormulaC31H38N2O3
Molecular Weight486.66 g/mol
Exact Mass486.29
IUPAC Name2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(CC)cc1
InChIInChI=1S/C31H38N2O3/c1-4-20-32-31(35)29(22-26-10-7-6-8-11-26)33(23-27-12-9-13-28(21-27)36-3)30(34)19-18-25-16-14-24(5-2)15-17-25/h6-17,21,29H,4-5,18-20,22-23H2,1-3H3,(H,32,35)
InChIKeyBSSMJWHSLBOHRM-UHFFFAOYSA-N
XLogP5.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100549967
2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 133201159
2-[(3-methoxyphenyl)methyl-(2-phenylacetyl)amino]-3-phenyl-N-propylpropanamide
CID 133200886
2-[(3-methoxyphenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 133201157
(2R)-N-butyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 100712194
N-[(3-methoxyphenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 132762097
(2R)-2-[3-(4-tert-butylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100608946
2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132624075
2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 133201219
(2R)-N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanamide
CID 100546377
2-[(3-bromophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butyl-3-phenylpropanamide
CID 133206254
4-(1,3-dioxoisoindol-2-yl)-N-[(3-methoxyphenyl)methyl]-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]butanamide
CID 133201145

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
The IUPAC name of 2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide (CID 133201163) is 2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide.
What is the SMILES notation for 2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
The canonical SMILES for 2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide is CCCNC(=O)C(Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(CC)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
The InChIKey is BSSMJWHSLBOHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O3/c1-4-20-32-31(35)29(22-26-10-7-6-8-11-26)33(23-27-12-9-13-28(21-27)36-3)30(34)19-18-25-16-14-24(5-2)15-17-25/h6-17,21,29H,4-5,18-20,22-23H2,1-3H3,(H,32,35).
What are the key properties of 2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide has a molecular weight of 486.66 g/mol, XLogP of 5.36, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 133201163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).