N-benzoyl-4-(cyclohexylmethylamino)benzamide

C21H24N2O2 — CID 13273362

IUPACN-benzoyl-4-(cyclohexylmethylamino)benzamide
SMILESO=C(NC(=O)c1ccc(NCC2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c24-20(17-9-5-2-6-10-17)23-21(25)18-11-13-19(14-12-18)22-15-16-7-3-1-4-8-16/h2,5-6,9-14,16,22H,1,3-4,7-8,15H2,(H,23,24,25)
InChIKeyHTVDVSGDSDKSBD-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.25
Rot. Bonds5

About N-benzoyl-4-(cyclohexylmethylamino)benzamide

N-benzoyl-4-(cyclohexylmethylamino)benzamide (PubChem CID 13273362) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-benzoyl-4-(cyclohexylmethylamino)benzamide.

Molecular Properties

Compound NameN-benzoyl-4-(cyclohexylmethylamino)benzamide
PubChem CID13273362
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-benzoyl-4-(cyclohexylmethylamino)benzamide
SMILESO=C(NC(=O)c1ccc(NCC2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c24-20(17-9-5-2-6-10-17)23-21(25)18-11-13-19(14-12-18)22-15-16-7-3-1-4-8-16/h2,5-6,9-14,16,22H,1,3-4,7-8,15H2,(H,23,24,25)
InChIKeyHTVDVSGDSDKSBD-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylmethylamino)benzoic acid
CID 13273360
1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
CID 114066650
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[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 90728867
4-(cyclooctylmethylamino)phenol
CID 53404225
N-(4-chloroquinolin-3-yl)-4-(cyclohexylmethylamino)benzamide
CID 66815550
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CID 66816015
4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
N-[[(4Z)-cyclooct-4-en-1-yl]methyl]aniline
CID 66837373
N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide
CID 91004368
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 17137888
[2-(4-benzamidophenyl)-2-oxoethyl] 3-cyclohexylpropanoate
CID 7628553

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-4-(cyclohexylmethylamino)benzamide?
The IUPAC name of N-benzoyl-4-(cyclohexylmethylamino)benzamide (CID 13273362) is N-benzoyl-4-(cyclohexylmethylamino)benzamide.
What is the SMILES notation for N-benzoyl-4-(cyclohexylmethylamino)benzamide?
The canonical SMILES for N-benzoyl-4-(cyclohexylmethylamino)benzamide is O=C(NC(=O)c1ccc(NCC2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-benzoyl-4-(cyclohexylmethylamino)benzamide?
The InChIKey is HTVDVSGDSDKSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20(17-9-5-2-6-10-17)23-21(25)18-11-13-19(14-12-18)22-15-16-7-3-1-4-8-16/h2,5-6,9-14,16,22H,1,3-4,7-8,15H2,(H,23,24,25).
What are the key properties of N-benzoyl-4-(cyclohexylmethylamino)benzamide?
N-benzoyl-4-(cyclohexylmethylamino)benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-4-(cyclohexylmethylamino)benzamide is sourced from PubChem (CID 13273362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).