(2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C18H26N2O2 — CID 129070238

IUPAC(2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESC[C@H]1OC2(CCCN(C)CC2)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C18H26N2O2/c1-15-17(21)20(13-16-7-4-3-5-8-16)14-18(22-15)9-6-11-19(2)12-10-18/h3-5,7-8,15H,6,9-14H2,1-2H3/t15-,18?/m1/s1
InChIKeyPOPHAJCHTWEEOJ-NNJIEVJOSA-N
MW302.42 g/mol
LogP2.29
Rot. Bonds2

About (2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

(2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 129070238) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name(2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID129070238
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESC[C@H]1OC2(CCCN(C)CC2)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C18H26N2O2/c1-15-17(21)20(13-16-7-4-3-5-8-16)14-18(22-15)9-6-11-19(2)12-10-18/h3-5,7-8,15H,6,9-14H2,1-2H3/t15-,18?/m1/s1
InChIKeyPOPHAJCHTWEEOJ-NNJIEVJOSA-N
XLogP2.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.29
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
9-benzyl-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135374652
4-[[(2S,6R)-4-ethyl-2-methyl-3-oxo-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]methyl]benzonitrile
CID 129070049
5-benzyl-1'-methylspiro[2,7-dioxa-5-azabicyclo[4.1.0]heptane-3,4'-piperidine]
CID 163922660
4-(2-chlorophenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567608
tert-butyl 4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130202713
(2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 137370776
2-methyl-4-(oxan-4-ylmethyl)-9-(2-phenylethyl)-1-oxa-4-azaspiro[5.5]undecan-3-one
CID 155229918
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
(5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
CID 129053848
(Z)-benzyl-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)-hydroxyazanium
CID 142826209
2-methyl-9-[2-(4-methylphenyl)ethyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155632216

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of (2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 129070238) is (2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for (2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for (2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is C[C@H]1OC2(CCCN(C)CC2)CN(Cc2ccccc2)C1=O.
What is the InChIKey of (2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is POPHAJCHTWEEOJ-NNJIEVJOSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-15-17(21)20(13-16-7-4-3-5-8-16)14-18(22-15)9-6-11-19(2)12-10-18/h3-5,7-8,15H,6,9-14H2,1-2H3/t15-,18?/m1/s1.
What are the key properties of (2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
(2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 302.42 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-2,10-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 129070238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).