9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide

C20H27N3O2 — CID 162629050

IUPAC9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCCC23CCCN(C2CC2)C3=O)c1
InChIInChI=1S/C20H27N3O2/c1-14-5-6-15(2)17(13-14)21-19(25)23-12-4-10-20(23)9-3-11-22(18(20)24)16-7-8-16/h5-6,13,16H,3-4,7-12H2,1-2H3,(H,21,25)
InChIKeyDGVAIQIUBCPVGP-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.45
Rot. Bonds2

About 9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide

9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide (PubChem CID 162629050) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide.

Molecular Properties

Compound Name9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
PubChem CID162629050
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCCC23CCCN(C2CC2)C3=O)c1
InChIInChI=1S/C20H27N3O2/c1-14-5-6-15(2)17(13-14)21-19(25)23-12-4-10-20(23)9-3-11-22(18(20)24)16-7-8-16/h5-6,13,16H,3-4,7-12H2,1-2H3,(H,21,25)
InChIKeyDGVAIQIUBCPVGP-UHFFFAOYSA-N
XLogP3.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 163311389
1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597866
(4aS,8aR)-N-(2,5-dimethylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51943981
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-4-methylbenzoic acid
CID 63219197
1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135826
N-(2,5-dimethylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850304
9-cyclopropyl-1-(1-methylindole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638778
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 146132314
8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72886739
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
(5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 96579065

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide?
The IUPAC name of 9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide (CID 162629050) is 9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide.
What is the SMILES notation for 9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide?
The canonical SMILES for 9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCCC23CCCN(C2CC2)C3=O)c1.
What is the InChIKey of 9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide?
The InChIKey is DGVAIQIUBCPVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-5-6-15(2)17(13-14)21-19(25)23-12-4-10-20(23)9-3-11-22(18(20)24)16-7-8-16/h5-6,13,16H,3-4,7-12H2,1-2H3,(H,21,25).
What are the key properties of 9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide?
9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide is sourced from PubChem (CID 162629050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).