9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H27ClN2O2 — CID 135374638

IUPAC9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccc(Cl)cc3)CC2)OC(C)(C)C1=O
InChIInChI=1S/C19H27ClN2O2/c1-4-22-14-19(24-18(2,3)17(22)23)9-11-21(12-10-19)13-15-5-7-16(20)8-6-15/h5-8H,4,9-14H2,1-3H3
InChIKeyIZRRBPXRUFUPSZ-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.33
Rot. Bonds3

About 9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135374638) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135374638
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccc(Cl)cc3)CC2)OC(C)(C)C1=O
InChIInChI=1S/C19H27ClN2O2/c1-4-22-14-19(24-18(2,3)17(22)23)9-11-21(12-10-19)13-15-5-7-16(20)8-6-15/h5-8H,4,9-14H2,1-3H3
InChIKeyIZRRBPXRUFUPSZ-UHFFFAOYSA-N
XLogP3.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135374638) is 9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(Cc3ccc(Cl)cc3)CC2)OC(C)(C)C1=O.
What is the InChIKey of 9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IZRRBPXRUFUPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-4-22-14-19(24-18(2,3)17(22)23)9-11-21(12-10-19)13-15-5-7-16(20)8-6-15/h5-8H,4,9-14H2,1-3H3.
What are the key properties of 9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 350.89 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-chlorophenyl)methyl]-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135374638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).