2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide

C24H32N2O4 — CID 132664131

IUPAC2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C24H32N2O4/c1-5-20(24(28)25-2)26(16-15-18-9-7-6-8-10-18)23(27)14-12-19-11-13-21(29-3)22(17-19)30-4/h6-11,13,17,20H,5,12,14-16H2,1-4H3,(H,25,28)
InChIKeyUEFYSAIGYJRNKI-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.23
Rot. Bonds11

About 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide

2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide (PubChem CID 132664131) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide
PubChem CID132664131
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C24H32N2O4/c1-5-20(24(28)25-2)26(16-15-18-9-7-6-8-10-18)23(27)14-12-19-11-13-21(29-3)22(17-19)30-4/h6-11,13,17,20H,5,12,14-16H2,1-4H3,(H,25,28)
InChIKeyUEFYSAIGYJRNKI-UHFFFAOYSA-N
XLogP3.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132667950
N-butyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]butanamide
CID 132718142
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-methylbutanamide
CID 132667963
(2R)-2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100514313
2-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetyl]-(2-phenylethyl)amino]-N-methylbutanamide
CID 132690899
2-[3-(3,4-dimethoxyphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132615978
(2R)-2-[benzyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclohexylbutanamide
CID 100527518
N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide
CID 132613155
N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 132704439
(2R)-N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 100509553
2-[3-(3,4-dimethoxyphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132672115
2-[[2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]acetyl]-(2-phenylethyl)amino]-N-methylbutanamide
CID 132688416

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide (CID 132664131) is 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide is CCC(C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide?
The InChIKey is UEFYSAIGYJRNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-5-20(24(28)25-2)26(16-15-18-9-7-6-8-10-18)23(27)14-12-19-11-13-21(29-3)22(17-19)30-4/h6-11,13,17,20H,5,12,14-16H2,1-4H3,(H,25,28).
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide?
2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide has a molecular weight of 412.53 g/mol, XLogP of 3.23, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-methylbutanamide is sourced from PubChem (CID 132664131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).