9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H28N2O2 — CID 135374652

IUPAC9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(Cc3ccccc3)CC2)CN(C(C)C)C1=O
InChIInChI=1S/C19H28N2O2/c1-15(2)21-14-19(23-16(3)18(21)22)9-11-20(12-10-19)13-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3
InChIKeyFPKNEBSPLUUFBV-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.68
Rot. Bonds3

About 9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135374652) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135374652
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(Cc3ccccc3)CC2)CN(C(C)C)C1=O
InChIInChI=1S/C19H28N2O2/c1-15(2)21-14-19(23-16(3)18(21)22)9-11-20(12-10-19)13-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3
InChIKeyFPKNEBSPLUUFBV-UHFFFAOYSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4,9-bis(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562325
(2R)-9-[2-(2,5-difluorophenyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561089
(2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129070238
4-(2-chlorophenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567608
(2S)-2,4-dimethyl-9-[[4-(trifluoromethoxy)phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135374942
4-[[(2S,6R)-4-ethyl-2-methyl-3-oxo-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]methyl]benzonitrile
CID 129070049
(2R)-9-[(2S)-2-hydroxy-2-phenylethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567602
2-methyl-9-[2-(4-methylphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155632216
9-[2-(3-fluorophenyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562440
2-(2-chloroethyl)-3-oxo-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 118560874
9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332705
(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methanol
CID 22744409

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135374652) is 9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1OC2(CCN(Cc3ccccc3)CC2)CN(C(C)C)C1=O.
What is the InChIKey of 9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FPKNEBSPLUUFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(2)21-14-19(23-16(3)18(21)22)9-11-20(12-10-19)13-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3.
What are the key properties of 9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 316.44 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135374652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).