3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide

C23H28N2O2 — CID 44578845

IUPAC3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)NCC(C)C)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-15(2)13-24-23(27)20-7-4-16(3)21(12-20)18-8-10-19(11-9-18)22(26)25-14-17-5-6-17/h4,7-12,15,17H,5-6,13-14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyZJINMBRTUAKBIE-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.19
Rot. Bonds7

About 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide

3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 44578845) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID44578845
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)NCC(C)C)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-15(2)13-24-23(27)20-7-4-16(3)21(12-20)18-8-10-19(11-9-18)22(26)25-14-17-5-6-17/h4,7-12,15,17H,5-6,13-14H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyZJINMBRTUAKBIE-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
AR-M1000390
CID 9841259
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
3,4-dihydro-5-methyl-1(2H)-isoquinolinone
CID 148140
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
Bunaftine
CID 36131
N-Ethyl-3-toluamide
CID 93103
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
N-(3,3-diphenylpropyl)benzamide
CID 1220236
N-[3-(benzoylamino)propyl]benzamide
CID 255782

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide (CID 44578845) is 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)NCC(C)C)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is ZJINMBRTUAKBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15(2)13-24-23(27)20-7-4-16(3)21(12-20)18-8-10-19(11-9-18)22(26)25-14-17-5-6-17/h4,7-12,15,17H,5-6,13-14H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide?
3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 44578845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).