1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone

C18H23NO2 — CID 87179083

IUPAC1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone
SMILESCCCC(C)(C)NOc1cc2ccccc2cc1C(C)=O
InChIInChI=1S/C18H23NO2/c1-5-10-18(3,4)19-21-17-12-15-9-7-6-8-14(15)11-16(17)13(2)20/h6-9,11-12,19H,5,10H2,1-4H3
InChIKeyOWOSNDXPMASLCQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.50
Rot. Bonds6

About 1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone

1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone (PubChem CID 87179083) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone
PubChem CID87179083
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone
SMILESCCCC(C)(C)NOc1cc2ccccc2cc1C(C)=O
InChIInChI=1S/C18H23NO2/c1-5-10-18(3,4)19-21-17-12-15-9-7-6-8-14(15)11-16(17)13(2)20/h6-9,11-12,19H,5,10H2,1-4H3
InChIKeyOWOSNDXPMASLCQ-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-prop-2-ynoxynaphthalen-2-yl)ethanone
CID 167078284
1-(3-acetylnaphthalen-2-yl)ethanone
CID 13300196
1-[3-(methylamino)naphthalen-2-yl]ethanone
CID 58772657
dipropyl tetracene-2,3-dicarboxylate
CID 132917219
1-(3-chloronaphthalen-2-yl)ethanone
CID 131563737
3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 43403898
propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 2292301
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
N-(2-methylpentan-2-yl)-1H-indole-7-carboxamide
CID 115659861
butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 43909390
CID 101146176
CID 101146176
3-[3-[3-[3-(3-carboxynaphthalen-2-yl)oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalene-2-carboxylic acid
CID 67635252

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone?
The IUPAC name of 1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone (CID 87179083) is 1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone?
The canonical SMILES for 1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone is CCCC(C)(C)NOc1cc2ccccc2cc1C(C)=O.
What is the InChIKey of 1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone?
The InChIKey is OWOSNDXPMASLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-10-18(3,4)19-21-17-12-15-9-7-6-8-14(15)11-16(17)13(2)20/h6-9,11-12,19H,5,10H2,1-4H3.
What are the key properties of 1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone?
1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone has a molecular weight of 285.39 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpentan-2-ylamino)oxynaphthalen-2-yl]ethanone is sourced from PubChem (CID 87179083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).