N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide

C24H31ClN2O2 — CID 132708127

IUPACN-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C24H31ClN2O2/c1-5-6-11-26-24(29)19(4)27(16-20-7-9-22(25)10-8-20)23(28)15-21-13-17(2)12-18(3)14-21/h7-10,12-14,19H,5-6,11,15-16H2,1-4H3,(H,26,29)
InChIKeyLSSSGYOOYKLYCB-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.83
Rot. Bonds9

About N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide

N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide (PubChem CID 132708127) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide
PubChem CID132708127
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC NameN-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C24H31ClN2O2/c1-5-6-11-26-24(29)19(4)27(16-20-7-9-22(25)10-8-20)23(28)15-21-13-17(2)12-18(3)14-21/h7-10,12-14,19H,5-6,11,15-16H2,1-4H3,(H,26,29)
InChIKeyLSSSGYOOYKLYCB-UHFFFAOYSA-N
XLogP4.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-butylpropanamide
CID 133257632
(2S)-N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100565173
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 132706192
(2R)-N-butyl-2-[(3-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 100557922
N-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132712859
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132705644
2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-propylpropanamide
CID 132665364
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 132703411
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]propanamide
CID 132711780
N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132704484

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide?
The IUPAC name of N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide (CID 132708127) is N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide?
The canonical SMILES for N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide is CCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1.
What is the InChIKey of N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide?
The InChIKey is LSSSGYOOYKLYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-5-6-11-26-24(29)19(4)27(16-20-7-9-22(25)10-8-20)23(28)15-21-13-17(2)12-18(3)14-21/h7-10,12-14,19H,5-6,11,15-16H2,1-4H3,(H,26,29).
What are the key properties of N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide?
N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide has a molecular weight of 414.98 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 132708127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).