9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one

C20H28N2O4 — CID 72886047

IUPAC9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1c(OC)cccc1OC)CC2
InChIInChI=1S/C20H28N2O4/c1-4-21-14-20(9-8-17(21)23)10-12-22(13-11-20)19(24)18-15(25-2)6-5-7-16(18)26-3/h5-7H,4,8-14H2,1-3H3
InChIKeyJVKGKSMEWZDJMR-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.57
Rot. Bonds4

About 9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one

9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72886047) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72886047
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1c(OC)cccc1OC)CC2
InChIInChI=1S/C20H28N2O4/c1-4-21-14-20(9-8-17(21)23)10-12-22(13-11-20)19(24)18-15(25-2)6-5-7-16(18)26-3/h5-7H,4,8-14H2,1-3H3
InChIKeyJVKGKSMEWZDJMR-UHFFFAOYSA-N
XLogP2.57
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72854155
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848278
9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 131687106
9-(2,2-dimethyl-1-phenylcyclopropanecarbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72912025
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-hydroxy-3-methoxybenzoyl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72852626
2-(2-methoxyethyl)-9-(2,4,6-trimethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72876264
2-ethyl-9-[(2R)-2-(methylamino)-2-phenylacetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97126301
2-ethyl-9-(3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72857950
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 107159956
2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131686040

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72886047) is 9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(C(=O)c1c(OC)cccc1OC)CC2.
What is the InChIKey of 9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JVKGKSMEWZDJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-4-21-14-20(9-8-17(21)23)10-12-22(13-11-20)19(24)18-15(25-2)6-5-7-16(18)26-3/h5-7H,4,8-14H2,1-3H3.
What are the key properties of 9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one?
9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72886047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).