N-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide

C21H24N2O2 — CID 1243047

IUPACN-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H24N2O2/c1-15-10-12-16(13-11-15)20(24)23-19-9-5-6-17(14-19)21(25)22-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8H2,1H3,(H,22,25)(H,23,24)
InChIKeyRKUKTLFVBOCIGM-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.31
Rot. Bonds4

About N-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide

N-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide (PubChem CID 1243047) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide
PubChem CID1243047
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H24N2O2/c1-15-10-12-16(13-11-15)20(24)23-19-9-5-6-17(14-19)21(25)22-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8H2,1H3,(H,22,25)(H,23,24)
InChIKeyRKUKTLFVBOCIGM-UHFFFAOYSA-N
XLogP4.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide (CID 1243047) is N-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide is Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide?
The InChIKey is RKUKTLFVBOCIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-10-12-16(13-11-15)20(24)23-19-9-5-6-17(14-19)21(25)22-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide?
N-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(4-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 1243047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).