N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide

C15H17NO3 — CID 107941689

IUPACN-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C15H17NO3/c1-2-9-19-10-15(18)16-13-7-3-6-12-11(13)5-4-8-14(12)17/h3-8,17H,2,9-10H2,1H3,(H,16,18)
InChIKeyRTUSEIDKGLYFCJ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.91
Rot. Bonds5

About N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide

N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide (PubChem CID 107941689) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide
PubChem CID107941689
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C15H17NO3/c1-2-9-19-10-15(18)16-13-7-3-6-12-11(13)5-4-8-14(12)17/h3-8,17H,2,9-10H2,1H3,(H,16,18)
InChIKeyRTUSEIDKGLYFCJ-UHFFFAOYSA-N
XLogP2.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-(5-hydroxynaphthalen-1-yl)acetamide
CID 79473649
N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754
2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018262
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
3-[(5-hydroxynaphthalen-1-yl)amino]-3-oxopropanoic acid
CID 62231947
3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
CID 60841593
N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
CID 63685097
2-[4-[(2-butoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219236
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940414
2-(2-methoxyethoxy)-N-(2-propoxyphenyl)acetamide
CID 103606695
2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219204
2-hydroxyethyl N-(5-hydroxynaphthalen-1-yl)carbamate
CID 79346430

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide?
The IUPAC name of N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide (CID 107941689) is N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide?
The canonical SMILES for N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide is CCCOCC(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide?
The InChIKey is RTUSEIDKGLYFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-9-19-10-15(18)16-13-7-3-6-12-11(13)5-4-8-14(12)17/h3-8,17H,2,9-10H2,1H3,(H,16,18).
What are the key properties of N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide?
N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide has a molecular weight of 259.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide is sourced from PubChem (CID 107941689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).