N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide

C18H21NO4 — CID 71785730

IUPACN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NC1CC(O)C(CO)C1
InChIInChI=1S/C18H21NO4/c20-10-14-7-15(9-17(14)21)19-18(22)11-23-16-6-5-12-3-1-2-4-13(12)8-16/h1-6,8,14-15,17,20-21H,7,9-11H2,(H,19,22)
InChIKeyLAAVOIIZVVFMLN-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.47
Rot. Bonds5

About N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide

N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 71785730) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide
PubChem CID71785730
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NC1CC(O)C(CO)C1
InChIInChI=1S/C18H21NO4/c20-10-14-7-15(9-17(14)21)19-18(22)11-23-16-6-5-12-3-1-2-4-13(12)8-16/h1-6,8,14-15,17,20-21H,7,9-11H2,(H,19,22)
InChIKeyLAAVOIIZVVFMLN-UHFFFAOYSA-N
XLogP1.47
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(4-methylphenoxy)acetamide
CID 98783562
2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039863
2-(4-fluorophenoxy)-N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039908
2-naphthalen-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 42883922
2-naphthalen-2-yloxy-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633295
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetamide
CID 16822122
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
2-naphthalen-2-yloxy-N-(propan-2-ylideneamino)acetamide
CID 5204578
N-(2-acetamidoethyl)-2-naphthalen-2-yloxyacetamide
CID 7942082
N-[(1S,3R)-3-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 162626830

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide (CID 71785730) is N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NC1CC(O)C(CO)C1.
What is the InChIKey of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is LAAVOIIZVVFMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c20-10-14-7-15(9-17(14)21)19-18(22)11-23-16-6-5-12-3-1-2-4-13(12)8-16/h1-6,8,14-15,17,20-21H,7,9-11H2,(H,19,22).
What are the key properties of N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide?
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 315.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 71785730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).