2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

C21H29N3O2 — CID 70760251

IUPAC2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C21H29N3O2/c1-15-4-3-5-16(2)19(15)22-20(26)23-12-10-21(11-13-23)9-8-18(25)24(14-21)17-6-7-17/h3-5,17H,6-14H2,1-2H3,(H,22,26)
InChIKeyMXZUGELGULPCTB-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.70
Rot. Bonds2

About 2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 70760251) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID70760251
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C21H29N3O2/c1-15-4-3-5-16(2)19(15)22-20(26)23-12-10-21(11-13-23)9-8-18(25)24(14-21)17-6-7-17/h3-5,17H,6-14H2,1-2H3,(H,22,26)
InChIKeyMXZUGELGULPCTB-UHFFFAOYSA-N
XLogP3.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(8-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)-N-phenylpiperidine-1-carboxamide
CID 72901458
9-(3-chloro-5-fluorobenzoyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72874255
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
2-cyclopropyl-9-[(2R)-2-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152093
9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97113341
(6R)-2-cyclopropyl-N-(2,4-difluorophenyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97122233
N-(4-methylphenyl)-3-oxo-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97119962
N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 70736483
2-(1-methylpyrrolidin-3-yl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72880029
9-[(4R)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148412
9-(azepane-4-carbonyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72923495
9-[(4S)-azepane-4-carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148411

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide (CID 70760251) is 2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide is Cc1cccc(C)c1NC(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1.
What is the InChIKey of 2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is MXZUGELGULPCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-4-3-5-16(2)19(15)22-20(26)23-12-10-21(11-13-23)9-8-18(25)24(14-21)17-6-7-17/h3-5,17H,6-14H2,1-2H3,(H,22,26).
What are the key properties of 2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2,6-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 70760251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).