N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide

C21H27N3O3 — CID 133213552

IUPACN-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(OC)cc1)C(C)C(=O)NCc1ccncc1
InChIInChI=1S/C21H27N3O3/c1-4-5-20(25)24(15-18-6-8-19(27-3)9-7-18)16(2)21(26)23-14-17-10-12-22-13-11-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyWUFOPVDFGSMYOM-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.92
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide

N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide (PubChem CID 133213552) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide
PubChem CID133213552
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccc(OC)cc1)C(C)C(=O)NCc1ccncc1
InChIInChI=1S/C21H27N3O3/c1-4-5-20(25)24(15-18-6-8-19(27-3)9-7-18)16(2)21(26)23-14-17-10-12-22-13-11-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyWUFOPVDFGSMYOM-UHFFFAOYSA-N
XLogP2.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]butanamide
CID 133149410
N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 100529470
2-[(4-methoxyphenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132667509
N-[(4-chlorophenyl)methyl]-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]butanamide
CID 133149417
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
CID 133213644
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 133212989
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133213694
N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide
CID 100527476
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213654
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
(2R)-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 100528406
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 133213563

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide (CID 133213552) is N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide is CCCC(=O)N(Cc1ccc(OC)cc1)C(C)C(=O)NCc1ccncc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide?
The InChIKey is WUFOPVDFGSMYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-5-20(25)24(15-18-6-8-19(27-3)9-7-18)16(2)21(26)23-14-17-10-12-22-13-11-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide?
N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide has a molecular weight of 369.47 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]butanamide is sourced from PubChem (CID 133213552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).