N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide

C22H26N2O2 — CID 171979242

IUPACN-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide
SMILESCC1(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CCCCC1
InChIInChI=1S/C22H26N2O2/c1-22(14-6-3-7-15-22)21(26)24-19-12-10-18(11-13-19)20(25)23-16-17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-16H2,1H3,(H,23,25)(H,24,26)
InChIKeyRXOCPZUVMBDRGC-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.53
Rot. Bonds5

About N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide

N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide (PubChem CID 171979242) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide
PubChem CID171979242
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide
SMILESCC1(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CCCCC1
InChIInChI=1S/C22H26N2O2/c1-22(14-6-3-7-15-22)21(26)24-19-12-10-18(11-13-19)20(25)23-16-17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-16H2,1H3,(H,23,25)(H,24,26)
InChIKeyRXOCPZUVMBDRGC-UHFFFAOYSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 120523468
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
N-[4-(ethylcarbamoyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 63131115
N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide
CID 86846187
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7366556
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-4-[(2,2-diphenylacetyl)amino]benzamide
CID 22449907
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide?
The IUPAC name of N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide (CID 171979242) is N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide.
What is the SMILES notation for N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide?
The canonical SMILES for N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide is CC1(C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CCCCC1.
What is the InChIKey of N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide?
The InChIKey is RXOCPZUVMBDRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-22(14-6-3-7-15-22)21(26)24-19-12-10-18(11-13-19)20(25)23-16-17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-16H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide?
N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide has a molecular weight of 350.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(1-methylcyclohexanecarbonyl)amino]benzamide is sourced from PubChem (CID 171979242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).