N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide

C16H19NO3 — CID 71787908

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C16H19NO3/c1-20-11-16(19)17-10-9-15(18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15,18H,9-11H2,1H3,(H,17,19)
InChIKeySIBRQNQSISGJLF-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.03
Rot. Bonds6

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide (PubChem CID 71787908) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
PubChem CID71787908
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
SMILESCOCC(=O)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C16H19NO3/c1-20-11-16(19)17-10-9-15(18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15,18H,9-11H2,1H3,(H,17,19)
InChIKeySIBRQNQSISGJLF-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
CID 90524671
N-(3-hydroxy-3-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide
CID 90524456
5-methoxy-1-naphthalen-1-ylpentan-1-ol
CID 112754213
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 90524589
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
CID 90524337
2-(4-chlorophenoxy)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524457
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide
CID 90497307
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 90524620

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide (CID 71787908) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide is COCC(=O)NCCC(O)c1cccc2ccccc12.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide?
The InChIKey is SIBRQNQSISGJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-11-16(19)17-10-9-15(18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15,18H,9-11H2,1H3,(H,17,19).
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide has a molecular weight of 273.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide is sourced from PubChem (CID 71787908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).