N-benzyl-4-hydroxycyclohexane-1-carboxamide

C14H19NO2 — CID 21217684

IUPACN-benzyl-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1CCC(O)CC1
InChIInChI=1S/C14H19NO2/c16-13-8-6-12(7-9-13)14(17)15-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)
InChIKeyAESSHGYDDHZHKH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.85
Rot. Bonds3

About N-benzyl-4-hydroxycyclohexane-1-carboxamide

N-benzyl-4-hydroxycyclohexane-1-carboxamide (PubChem CID 21217684) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-benzyl-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxycyclohexane-1-carboxamide
PubChem CID21217684
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-benzyl-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1CCC(O)CC1
InChIInChI=1S/C14H19NO2/c16-13-8-6-12(7-9-13)14(17)15-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)
InChIKeyAESSHGYDDHZHKH-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-benzylpiperidine-4-carboxamide
CID 3868064
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109147881
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-benzyl-2-[(4-hydroxycyclohexyl)amino]acetamide
CID 103601287
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
(1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide
CID 86334449
(1R,2S,3S,4S)-3-(benzylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylate
CID 11859332
cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 171096980

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-benzyl-4-hydroxycyclohexane-1-carboxamide (CID 21217684) is N-benzyl-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-benzyl-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-benzyl-4-hydroxycyclohexane-1-carboxamide is O=C(NCc1ccccc1)C1CCC(O)CC1.
What is the InChIKey of N-benzyl-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is AESSHGYDDHZHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-13-8-6-12(7-9-13)14(17)15-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17).
What are the key properties of N-benzyl-4-hydroxycyclohexane-1-carboxamide?
N-benzyl-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 21217684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).