N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide

C18H21NO2 — CID 103690977

IUPACN-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO2/c20-17-7-3-4-13(10-17)12-19-18(21)16-9-8-14-5-1-2-6-15(14)11-16/h1-2,5-6,8-9,11,13,17,20H,3-4,7,10,12H2,(H,19,21)
InChIKeyZCGKHAJNIMCMNF-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.12
Rot. Bonds3

About N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide

N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide (PubChem CID 103690977) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
PubChem CID103690977
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1ccc2ccccc2c1
InChIInChI=1S/C18H21NO2/c20-17-7-3-4-13(10-17)12-19-18(21)16-9-8-14-5-1-2-6-15(14)11-16/h1-2,5-6,8-9,11,13,17,20H,3-4,7,10,12H2,(H,19,21)
InChIKeyZCGKHAJNIMCMNF-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
CID 111460495
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide
CID 111490653
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 106127994
3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106136822
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103728999
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374
(2S,3aS,7aS)-N-[(3-hydroxycyclohexyl)methyl]-1-(naphthalene-2-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 154852242
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide (CID 103690977) is N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide is O=C(NCC1CCCC(O)C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide?
The InChIKey is ZCGKHAJNIMCMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-17-7-3-4-13(10-17)12-19-18(21)16-9-8-14-5-1-2-6-15(14)11-16/h1-2,5-6,8-9,11,13,17,20H,3-4,7,10,12H2,(H,19,21).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 103690977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).