N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide

C24H31ClN2O2 — CID 132708105

IUPACN-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
SMILESCCCCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C24H31ClN2O2/c1-4-6-14-26-24(29)22(5-2)27(17-20-12-8-7-10-18(20)3)23(28)16-19-11-9-13-21(25)15-19/h7-13,15,22H,4-6,14,16-17H2,1-3H3,(H,26,29)
InChIKeySBLYDZZJFAAEEV-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.91
Rot. Bonds10

About N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide

N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide (PubChem CID 132708105) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
PubChem CID132708105
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC NameN-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
SMILESCCCCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C24H31ClN2O2/c1-4-6-14-26-24(29)22(5-2)27(17-20-12-8-7-10-18(20)3)23(28)16-19-11-9-13-21(25)15-19/h7-13,15,22H,4-6,14,16-17H2,1-3H3,(H,26,29)
InChIKeySBLYDZZJFAAEEV-UHFFFAOYSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]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

(2S)-2-[benzyl-[2-(3-chlorophenyl)acetyl]amino]-N-propylbutanamide
CID 100543072
N-butyl-2-[(3-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 133258988
(2S)-2-[benzyl-[2-(3-chlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100585298
2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132610464
N-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]butanamide
CID 132716685
2-[[2-(4-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132661423
2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132705614
(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100547987
N-butyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133153058
(2S)-2-[[2-(3-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100603856
(2R)-N-butyl-2-[(3-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 100557922
N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132712866

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The IUPAC name of N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide (CID 132708105) is N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide is CCCCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
The InChIKey is SBLYDZZJFAAEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-4-6-14-26-24(29)22(5-2)27(17-20-12-8-7-10-18(20)3)23(28)16-19-11-9-13-21(25)15-19/h7-13,15,22H,4-6,14,16-17H2,1-3H3,(H,26,29).
What are the key properties of N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide?
N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide has a molecular weight of 414.98 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 132708105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).