N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide

C27H31N3O2 — CID 46056449

IUPACN-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide
SMILESCC(C)CC(=O)N(Cc1ccccc1)c1cccc(CC(=O)NCCc2ccccn2)c1
InChIInChI=1S/C27H31N3O2/c1-21(2)17-27(32)30(20-22-9-4-3-5-10-22)25-13-8-11-23(18-25)19-26(31)29-16-14-24-12-6-7-15-28-24/h3-13,15,18,21H,14,16-17,19-20H2,1-2H3,(H,29,31)
InChIKeySTRXRBKDLZOZFO-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.56
Rot. Bonds10

About N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide

N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide (PubChem CID 46056449) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide
PubChem CID46056449
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide
SMILESCC(C)CC(=O)N(Cc1ccccc1)c1cccc(CC(=O)NCCc2ccccn2)c1
InChIInChI=1S/C27H31N3O2/c1-21(2)17-27(32)30(20-22-9-4-3-5-10-22)25-13-8-11-23(18-25)19-26(31)29-16-14-24-12-6-7-15-28-24/h3-13,15,18,21H,14,16-17,19-20H2,1-2H3,(H,29,31)
InChIKeySTRXRBKDLZOZFO-UHFFFAOYSA-N
XLogP4.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]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-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide
CID 42859236
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 46056985
2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide
CID 46056595
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
N-[2-(propan-2-ylamino)ethyl]-2-pyridin-2-ylacetamide
CID 62658246
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858
N-(3,4-dimethylphenyl)-2-phenyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143913137
N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide
CID 42859248
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 46056741
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113055213
N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide
CID 46057198

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide?
The IUPAC name of N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide (CID 46056449) is N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide.
What is the SMILES notation for N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide?
The canonical SMILES for N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide is CC(C)CC(=O)N(Cc1ccccc1)c1cccc(CC(=O)NCCc2ccccn2)c1.
What is the InChIKey of N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide?
The InChIKey is STRXRBKDLZOZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-21(2)17-27(32)30(20-22-9-4-3-5-10-22)25-13-8-11-23(18-25)19-26(31)29-16-14-24-12-6-7-15-28-24/h3-13,15,18,21H,14,16-17,19-20H2,1-2H3,(H,29,31).
What are the key properties of N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide?
N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide has a molecular weight of 429.56 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-N-[3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]butanamide is sourced from PubChem (CID 46056449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).