N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide

C16H17NO3 — CID 163899201

IUPACN-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(OCC3CO3)cccc2c1
InChIInChI=1S/C16H17NO3/c1-2-16(18)17-12-6-7-14-11(8-12)4-3-5-15(14)20-10-13-9-19-13/h3-8,13H,2,9-10H2,1H3,(H,17,18)
InChIKeyQIICQZULCTYWRD-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.97
Rot. Bonds5

About N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide

N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide (PubChem CID 163899201) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide
PubChem CID163899201
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(OCC3CO3)cccc2c1
InChIInChI=1S/C16H17NO3/c1-2-16(18)17-12-6-7-14-11(8-12)4-3-5-15(14)20-10-13-9-19-13/h3-8,13H,2,9-10H2,1H3,(H,17,18)
InChIKeyQIICQZULCTYWRD-UHFFFAOYSA-N
XLogP2.97
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxynaphthalen-2-yl)propanamide
CID 137348573
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
1,4-diethylbenzene;methane;bis(2-(naphthalen-1-yloxymethyl)oxirane)
CID 158268997
3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyoxetane
CID 144830025
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
N-(3,4-diethoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 7860223
4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17222424
4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062341
3,4-dimethoxy-N-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]benzamide
CID 10970901
(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane
CID 89326132
3-bromo-4-(oxolan-2-ylmethoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204952
ethyl 5-[(2-methoxybenzoyl)amino]-2-(oxiran-2-ylmethoxy)benzoate
CID 154242505

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide?
The IUPAC name of N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide (CID 163899201) is N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide.
What is the SMILES notation for N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide?
The canonical SMILES for N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide is CCC(=O)Nc1ccc2c(OCC3CO3)cccc2c1.
What is the InChIKey of N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide?
The InChIKey is QIICQZULCTYWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-16(18)17-12-6-7-14-11(8-12)4-3-5-15(14)20-10-13-9-19-13/h3-8,13H,2,9-10H2,1H3,(H,17,18).
What are the key properties of N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide?
N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide has a molecular weight of 271.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide is sourced from PubChem (CID 163899201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).