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

C21H32N2O2 — CID 129069859

IUPAC4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(CCCN(CCc3ccccc3)CC2)OC(C)(C)C1=O
InChIInChI=1S/C21H32N2O2/c1-4-23-17-21(25-20(2,3)19(23)24)12-8-14-22(16-13-21)15-11-18-9-6-5-7-10-18/h5-7,9-10H,4,8,11-17H2,1-3H3
InChIKeySQHZCBRMZNDLHJ-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.11
Rot. Bonds4

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

4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 129069859) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID129069859
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(CCCN(CCc3ccccc3)CC2)OC(C)(C)C1=O
InChIInChI=1S/C21H32N2O2/c1-4-23-17-21(25-20(2,3)19(23)24)12-8-14-22(16-13-21)15-11-18-9-6-5-7-10-18/h5-7,9-10H,4,8,11-17H2,1-3H3
InChIKeySQHZCBRMZNDLHJ-UHFFFAOYSA-N
XLogP3.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one with MolForge

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Related Compounds

(2R)-9-[2-(2,5-Difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
4-Methyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 70552386
2,4-Dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560871
(2R)-4-ethyl-9-[2-(2-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560963
(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560969
(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560973
(2R)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560990
2,2,4-Trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560993
2-Methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561045
(2R)-2-ethyl-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561057
(2R)-4-ethyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561095

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 129069859) is 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is CCN1CC2(CCCN(CCc3ccccc3)CC2)OC(C)(C)C1=O.
What is the InChIKey of 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is SQHZCBRMZNDLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-4-23-17-21(25-20(2,3)19(23)24)12-8-14-22(16-13-21)15-11-18-9-6-5-7-10-18/h5-7,9-10H,4,8,11-17H2,1-3H3.
What are the key properties of 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 344.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethyl-10-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 129069859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).