N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide

C24H32N2O2 — CID 54782303

IUPACN-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-6-17(4)25-24(28)21-11-13-22(14-12-21)26-23(27)18(5)20-9-7-19(8-10-20)15-16(2)3/h7-14,16-18H,6,15H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyCACCRUDAJAATEU-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.16
Rot. Bonds8

About N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide

N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide (PubChem CID 54782303) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide
PubChem CID54782303
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C24H32N2O2/c1-6-17(4)25-24(28)21-11-13-22(14-12-21)26-23(27)18(5)20-9-7-19(8-10-20)15-16(2)3/h7-14,16-18H,6,15H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyCACCRUDAJAATEU-UHFFFAOYSA-N
XLogP5.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11841279
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
CID 54782126
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 54782327
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide
CID 54782349
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide?
The IUPAC name of N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide (CID 54782303) is N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide is CCC(C)NC(=O)c1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide?
The InChIKey is CACCRUDAJAATEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-6-17(4)25-24(28)21-11-13-22(14-12-21)26-23(27)18(5)20-9-7-19(8-10-20)15-16(2)3/h7-14,16-18H,6,15H2,1-5H3,(H,25,28)(H,26,27).
What are the key properties of N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide?
N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide has a molecular weight of 380.53 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide is sourced from PubChem (CID 54782303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).