2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide

C27H32N2O3 — CID 132669603

IUPAC2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C27H32N2O3/c1-4-17-28-27(31)20(2)29(19-21-9-7-13-24(18-21)32-3)26(30)16-15-23-12-8-11-22-10-5-6-14-25(22)23/h5-14,18,20H,4,15-17,19H2,1-3H3,(H,28,31)
InChIKeyBDBCNKDUPNCDLF-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.72
Rot. Bonds10

About 2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide

2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide (PubChem CID 132669603) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide
PubChem CID132669603
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C27H32N2O3/c1-4-17-28-27(31)20(2)29(19-21-9-7-13-24(18-21)32-3)26(30)16-15-23-12-8-11-22-10-5-6-14-25(22)23/h5-14,18,20H,4,15-17,19H2,1-3H3,(H,28,31)
InChIKeyBDBCNKDUPNCDLF-UHFFFAOYSA-N
XLogP4.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 132665296
(2R)-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100521771
(2S)-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 100521307
(2R)-2-[3-(4-tert-butylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100520666
(2S)-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100521859
(2S)-2-[3-benzylsulfanylpropanoyl-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100521488
(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100523039
2-[[2-(2,6-dichlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 132671189
2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 132661956
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100521090
(2R)-2-[(3-methoxyphenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-propylpropanamide
CID 100516598
N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 100529470

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide (CID 132669603) is 2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide?
The InChIKey is BDBCNKDUPNCDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-4-17-28-27(31)20(2)29(19-21-9-7-13-24(18-21)32-3)26(30)16-15-23-12-8-11-22-10-5-6-14-25(22)23/h5-14,18,20H,4,15-17,19H2,1-3H3,(H,28,31).
What are the key properties of 2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide?
2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide has a molecular weight of 432.56 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide is sourced from PubChem (CID 132669603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).