4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one

C19H21ClN2O2 — CID 146139665

IUPAC4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one
SMILESO=C1NCC2(CCOCC2)C1NCc1cc(Cl)cc2ccccc12
InChIInChI=1S/C19H21ClN2O2/c20-15-9-13-3-1-2-4-16(13)14(10-15)11-21-17-18(23)22-12-19(17)5-7-24-8-6-19/h1-4,9-10,17,21H,5-8,11-12H2,(H,22,23)
InChIKeyUMUUFQHSBQCQDZ-UHFFFAOYSA-N
MW344.84 g/mol
LogP2.88
Rot. Bonds3

About 4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one

4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one (PubChem CID 146139665) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one
PubChem CID146139665
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one
SMILESO=C1NCC2(CCOCC2)C1NCc1cc(Cl)cc2ccccc12
InChIInChI=1S/C19H21ClN2O2/c20-15-9-13-3-1-2-4-16(13)14(10-15)11-21-17-18(23)22-12-19(17)5-7-24-8-6-19/h1-4,9-10,17,21H,5-8,11-12H2,(H,22,23)
InChIKeyUMUUFQHSBQCQDZ-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(7-methyl-2-oxochromen-4-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one
CID 146139673
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CID 167963149
(4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one
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1-(naphthalen-1-ylmethyl)-3-[(4-phenylsulfanyloxan-4-yl)methyl]urea
CID 72717033
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(1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one
CID 6936217
12-amino-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,10,12-heptaen-14-one
CID 154697925
12,15,18,21,42,45,48,51-octaoxanonacyclo[50.8.0.02,11.03,8.022,31.025,30.032,41.033,38.055,60]hexaconta-1(52),2(11),3,5,7,9,22(31),23,25,27,29,32(41),33,35,37,39,53,55,57,59-icosaene
CID 101060260

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one (CID 146139665) is 4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one is O=C1NCC2(CCOCC2)C1NCc1cc(Cl)cc2ccccc12.
What is the InChIKey of 4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one?
The InChIKey is UMUUFQHSBQCQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-15-9-13-3-1-2-4-16(13)14(10-15)11-21-17-18(23)22-12-19(17)5-7-24-8-6-19/h1-4,9-10,17,21H,5-8,11-12H2,(H,22,23).
What are the key properties of 4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one?
4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one has a molecular weight of 344.84 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloronaphthalen-1-yl)methylamino]-8-oxa-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 146139665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).