N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide

C21H24N2O3 — CID 10215484

IUPACN-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide
SMILESO=C(NCC1CCC(C(=O)NO)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c24-20(22-14-15-6-8-19(9-7-15)21(25)23-26)18-12-10-17(11-13-18)16-4-2-1-3-5-16/h1-5,10-13,15,19,26H,6-9,14H2,(H,22,24)(H,23,25)
InChIKeyHXPGPPGNBZMXGM-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.40
Rot. Bonds5

About N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide

N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide (PubChem CID 10215484) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide
PubChem CID10215484
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide
SMILESO=C(NCC1CCC(C(=O)NO)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c24-20(22-14-15-6-8-19(9-7-15)21(25)23-26)18-12-10-17(11-13-18)16-4-2-1-3-5-16/h1-5,10-13,15,19,26H,6-9,14H2,(H,22,24)(H,23,25)
InChIKeyHXPGPPGNBZMXGM-UHFFFAOYSA-N
XLogP3.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
AR-M1000390
CID 9841259
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
ChiRYun
CID 389617
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
CID 137553162
CID 137553162
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
N-(3,3-diphenylpropyl)benzamide
CID 1220236
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
N-[3-(benzoylamino)propyl]benzamide
CID 255782

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide?
The IUPAC name of N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide (CID 10215484) is N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide is O=C(NCC1CCC(C(=O)NO)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide?
The InChIKey is HXPGPPGNBZMXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(22-14-15-6-8-19(9-7-15)21(25)23-26)18-12-10-17(11-13-18)16-4-2-1-3-5-16/h1-5,10-13,15,19,26H,6-9,14H2,(H,22,24)(H,23,25).
What are the key properties of N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide?
N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide has a molecular weight of 352.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 10215484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).