N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide

C22H27N3O2 — CID 17180897

IUPACN-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-15-8-13-20(16(2)14-15)25-22(27)24-19-11-9-17(10-12-19)21(26)23-18-6-4-3-5-7-18/h8-14,18H,3-7H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyWKBHQPUOPISMPF-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.01
Rot. Bonds4

About N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide

N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide (PubChem CID 17180897) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
PubChem CID17180897
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-15-8-13-20(16(2)14-15)25-22(27)24-19-11-9-17(10-12-19)21(26)23-18-6-4-3-5-7-18/h8-14,18H,3-7H2,1-2H3,(H,23,26)(H2,24,25,27)
InChIKeyWKBHQPUOPISMPF-UHFFFAOYSA-N
XLogP5.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 48645772
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4-[(5-chloro-2-methylphenyl)carbamoylamino]-N-cyclopropylbenzamide
CID 17180530
N-cyclohexyl-6-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 1441232
4-[(2,4-dimethylphenyl)carbamoylamino]benzamide
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N-cyclooctyl-4-(2-methylpropanoylamino)benzamide
CID 3901295
N-cyclohexyl-4-(2,4,6-trimethylbenzoyl)benzamide
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2-(cyclohexylcarbamoylamino)-N-(2,4-dimethylphenyl)acetamide
CID 112996389
N-[4-(cyclohexylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
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3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide?
The IUPAC name of N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide (CID 17180897) is N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide is Cc1ccc(NC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c(C)c1.
What is the InChIKey of N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide?
The InChIKey is WKBHQPUOPISMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-8-13-20(16(2)14-15)25-22(27)24-19-11-9-17(10-12-19)21(26)23-18-6-4-3-5-7-18/h8-14,18H,3-7H2,1-2H3,(H,23,26)(H2,24,25,27).
What are the key properties of N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide?
N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide has a molecular weight of 365.48 g/mol, XLogP of 5.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2,4-dimethylphenyl)carbamoylamino]benzamide is sourced from PubChem (CID 17180897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).