2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H26N2O2 — CID 72848278

IUPAC2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1ccccc1C)CC2
InChIInChI=1S/C19H26N2O2/c1-3-20-14-19(9-8-17(20)22)10-12-21(13-11-19)18(23)16-7-5-4-6-15(16)2/h4-7H,3,8-14H2,1-2H3
InChIKeyBOEIDDJYAVZLEU-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.86
Rot. Bonds2

About 2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72848278) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72848278
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1ccccc1C)CC2
InChIInChI=1S/C19H26N2O2/c1-3-20-14-19(9-8-17(20)22)10-12-21(13-11-19)18(23)16-7-5-4-6-15(16)2/h4-7H,3,8-14H2,1-2H3
InChIKeyBOEIDDJYAVZLEU-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-9-(4-methylpyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897107
2-ethyl-9-(quinoline-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72904189
9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72886047
2-benzyl-9-(2-ethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72911476
9-(2,2-dimethyl-1-phenylcyclopropanecarbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72912025
9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 131687106
9-(3-chloro-2-methylbenzoyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72894988
2-ethyl-9-[(2R)-2-(methylamino)-2-phenylacetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97126301
9-(2,5-dimethylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72858674
2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894680
N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70755232
2-ethyl-9-(3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72857950

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72848278) is 2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(C(=O)c1ccccc1C)CC2.
What is the InChIKey of 2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is BOEIDDJYAVZLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-20-14-19(9-8-17(20)22)10-12-21(13-11-19)18(23)16-7-5-4-6-15(16)2/h4-7H,3,8-14H2,1-2H3.
What are the key properties of 2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 314.43 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72848278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).