N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide

C19H23NO2 — CID 111460495

IUPACN-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCC1CCCC(O)C1
InChIInChI=1S/C19H23NO2/c21-18-7-3-4-15(11-18)13-20-19(22)12-14-8-9-16-5-1-2-6-17(16)10-14/h1-2,5-6,8-10,15,18,21H,3-4,7,11-13H2,(H,20,22)
InChIKeyPPJZLGXJKKJFDC-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.05
Rot. Bonds4

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

N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide (PubChem CID 111460495) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
PubChem CID111460495
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NCC1CCCC(O)C1
InChIInChI=1S/C19H23NO2/c21-18-7-3-4-15(11-18)13-20-19(22)12-14-8-9-16-5-1-2-6-17(16)10-14/h1-2,5-6,8-10,15,18,21H,3-4,7,11-13H2,(H,20,22)
InChIKeyPPJZLGXJKKJFDC-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide
CID 111490653
3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106136822
2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280483
N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 111460220
2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 106135080
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
tert-butyl 3-[[(2-naphthalen-2-ylacetyl)amino]methyl]azetidine-1-carboxylate
CID 167461978
2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111459685
N-[(1R,2R)-2-hydroxycyclohexyl]-2-naphthalen-2-ylacetamide
CID 104927093
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide (CID 111460495) is N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide?
The InChIKey is PPJZLGXJKKJFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-18-7-3-4-15(11-18)13-20-19(22)12-14-8-9-16-5-1-2-6-17(16)10-14/h1-2,5-6,8-10,15,18,21H,3-4,7,11-13H2,(H,20,22).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide?
N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide has a molecular weight of 297.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 111460495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).