2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide

C24H31ClN2O2 — CID 132664735

IUPAC2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C24H31ClN2O2/c1-5-22(24(29)26-17(2)3)27(16-19-12-10-18(4)11-13-19)23(28)15-14-20-8-6-7-9-21(20)25/h6-13,17,22H,5,14-16H2,1-4H3,(H,26,29)
InChIKeyHBJAJOIVPYDRDS-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.91
Rot. Bonds9

About 2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide

2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide (PubChem CID 132664735) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
PubChem CID132664735
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC Name2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl
InChIInChI=1S/C24H31ClN2O2/c1-5-22(24(29)26-17(2)3)27(16-19-12-10-18(4)11-13-19)23(28)15-14-20-8-6-7-9-21(20)25/h6-13,17,22H,5,14-16H2,1-4H3,(H,26,29)
InChIKeyHBJAJOIVPYDRDS-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132661437
2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132650775
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100687476
N-butan-2-yl-2-[[2-(2-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132708071
(2R)-2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylbutanamide
CID 100568172
(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide
CID 100542315
2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 132658494
(2R)-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100516926
(2R)-N-[(2R)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100677923
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100690085
2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132662442
2-[(2-chlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-propan-2-ylbutanamide
CID 132664741

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide?
The IUPAC name of 2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide (CID 132664735) is 2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide is CCC(C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl.
What is the InChIKey of 2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide?
The InChIKey is HBJAJOIVPYDRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-5-22(24(29)26-17(2)3)27(16-19-12-10-18(4)11-13-19)23(28)15-14-20-8-6-7-9-21(20)25/h6-13,17,22H,5,14-16H2,1-4H3,(H,26,29).
What are the key properties of 2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide?
2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide has a molecular weight of 414.98 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)propanoyl-[(4-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 132664735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).