N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide

C25H30N2O2 — CID 44578253

IUPACN-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C25H30N2O2/c1-17-7-10-21(25(29)27-22-5-3-2-4-6-22)15-23(17)19-11-13-20(14-12-19)24(28)26-16-18-8-9-18/h7,10-15,18,22H,2-6,8-9,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyOALMGWWMKRZIDJ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.86
Rot. Bonds6

About N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide

N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide (PubChem CID 44578253) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide
PubChem CID44578253
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C25H30N2O2/c1-17-7-10-21(25(29)27-22-5-3-2-4-6-22)15-23(17)19-11-13-20(14-12-19)24(28)26-16-18-8-9-18/h7,10-15,18,22H,2-6,8-9,16H2,1H3,(H,26,28)(H,27,29)
InChIKeyOALMGWWMKRZIDJ-UHFFFAOYSA-N
XLogP4.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide (CID 44578253) is N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide?
The InChIKey is OALMGWWMKRZIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-17-7-10-21(25(29)27-22-5-3-2-4-6-22)15-23(17)19-11-13-20(14-12-19)24(28)26-16-18-8-9-18/h7,10-15,18,22H,2-6,8-9,16H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide?
N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide has a molecular weight of 390.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 44578253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).