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

C20H30N2O2 — CID 129053801

IUPAC10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(CCCN(Cc3ccccc3)CC2)OC(C)(C)C1=O
InChIInChI=1S/C20H30N2O2/c1-4-22-16-20(24-19(2,3)18(22)23)11-8-13-21(14-12-20)15-17-9-6-5-7-10-17/h5-7,9-10H,4,8,11-16H2,1-3H3
InChIKeyXAIGANLZIFWZNU-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.07
Rot. Bonds3

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

10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 129053801) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID129053801
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(CCCN(Cc3ccccc3)CC2)OC(C)(C)C1=O
InChIInChI=1S/C20H30N2O2/c1-4-22-16-20(24-19(2,3)18(22)23)11-8-13-21(14-12-20)15-17-9-6-5-7-10-17/h5-7,9-10H,4,8,11-16H2,1-3H3
InChIKeyXAIGANLZIFWZNU-UHFFFAOYSA-N
XLogP3.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 129053801) is 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is CCN1CC2(CCCN(Cc3ccccc3)CC2)OC(C)(C)C1=O.
What is the InChIKey of 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is XAIGANLZIFWZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-22-16-20(24-19(2,3)18(22)23)11-8-13-21(14-12-20)15-17-9-6-5-7-10-17/h5-7,9-10H,4,8,11-16H2,1-3H3.
What are the key properties of 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 330.47 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 129053801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).