N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide

C19H22N2O3 — CID 111490653

IUPACN-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide
SMILESO=C(NCC1CCCC(O)C1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H22N2O3/c22-17-7-3-4-13(10-17)12-20-18(23)19(24)21-16-9-8-14-5-1-2-6-15(14)11-16/h1-2,5-6,8-9,11,13,17,22H,3-4,7,10,12H2,(H,20,23)(H,21,24)
InChIKeyHKFVGLIWIDADHF-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.45
Rot. Bonds3

About N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide

N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide (PubChem CID 111490653) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide
PubChem CID111490653
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide
SMILESO=C(NCC1CCCC(O)C1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H22N2O3/c22-17-7-3-4-13(10-17)12-20-18(23)19(24)21-16-9-8-14-5-1-2-6-15(14)11-16/h1-2,5-6,8-9,11,13,17,22H,3-4,7,10,12H2,(H,20,23)(H,21,24)
InChIKeyHKFVGLIWIDADHF-UHFFFAOYSA-N
XLogP2.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490629
3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106136822
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
CID 111460495
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490664
N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide
CID 111490641
[3-[[3-[[(3-naphthalen-2-ylsulfonyloxyphenyl)carbamoylamino]methyl]cyclohexyl]methylcarbamoylamino]phenyl] naphthalene-2-sulfonate
CID 155661532
N-[(3-hydroxycyclopentyl)methyl]-N'-(3-methyl-5-phenylphenyl)oxamide
CID 166293210
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 106135080
(2S,3aS,7aS)-N-[(3-hydroxycyclohexyl)methyl]-1-(naphthalene-2-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 154852242

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide (CID 111490653) is N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide is O=C(NCC1CCCC(O)C1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide?
The InChIKey is HKFVGLIWIDADHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17-7-3-4-13(10-17)12-20-18(23)19(24)21-16-9-8-14-5-1-2-6-15(14)11-16/h1-2,5-6,8-9,11,13,17,22H,3-4,7,10,12H2,(H,20,23)(H,21,24).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide?
N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide has a molecular weight of 326.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide is sourced from PubChem (CID 111490653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).