2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide

C25H34N2O3 — CID 133213644

IUPAC2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C25H34N2O3/c1-4-5-9-18-26-25(29)20(2)27(19-22-12-15-23(30-3)16-13-22)24(28)17-14-21-10-7-6-8-11-21/h6-8,10-13,15-16,20H,4-5,9,14,17-19H2,1-3H3,(H,26,29)
InChIKeyXOVPDZQMYILLOV-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.35
Rot. Bonds12

About 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide

2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide (PubChem CID 133213644) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
PubChem CID133213644
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C25H34N2O3/c1-4-5-9-18-26-25(29)20(2)27(19-22-12-15-23(30-3)16-13-22)24(28)17-14-21-10-7-6-8-11-21/h6-8,10-13,15-16,20H,4-5,9,14,17-19H2,1-3H3,(H,26,29)
InChIKeyXOVPDZQMYILLOV-UHFFFAOYSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
2-[(4-methoxyphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132667509
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213633
2-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 133152094
N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide
CID 100527476
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132984664
N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 100529470
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
CID 132655615
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 133213635
2-[(4-methoxyphenyl)methyl-propanoylamino]-N-pentyl-3-phenylpropanamide
CID 133240945
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
CID 133148977

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide (CID 133213644) is 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide is CCCCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide?
The InChIKey is XOVPDZQMYILLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-4-5-9-18-26-25(29)20(2)27(19-22-12-15-23(30-3)16-13-22)24(28)17-14-21-10-7-6-8-11-21/h6-8,10-13,15-16,20H,4-5,9,14,17-19H2,1-3H3,(H,26,29).
What are the key properties of 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide?
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide has a molecular weight of 410.56 g/mol, XLogP of 4.35, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide is sourced from PubChem (CID 133213644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).