N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C18H31N3O3 — CID 87054516

IUPACN-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)CNC(=O)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1
InChIInChI=1S/C18H31N3O3/c1-14(2)11-19-17(23)21-12-15(16(22)20-7-3-4-8-20)18(13-21)5-9-24-10-6-18/h14-15H,3-13H2,1-2H3,(H,19,23)
InChIKeySHAHKSGTJVPFLR-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.70
Rot. Bonds3

About N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 87054516) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID87054516
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC NameN-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)CNC(=O)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1
InChIInChI=1S/C18H31N3O3/c1-14(2)11-19-17(23)21-12-15(16(22)20-7-3-4-8-20)18(13-21)5-9-24-10-6-18/h14-15H,3-13H2,1-2H3,(H,19,23)
InChIKeySHAHKSGTJVPFLR-UHFFFAOYSA-N
XLogP1.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054524
N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131651377
N-(2-ethylphenyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131641879
N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131642120
[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131654519
2-N,2-N-dimethyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 118740706
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
[(4S)-2-[(4-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 97451928
3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256418
[2-[(4-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651785
(5R)-N-(2-methylpropyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97374304
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 87054516) is N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CC(C)CNC(=O)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1.
What is the InChIKey of N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is SHAHKSGTJVPFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-14(2)11-19-17(23)21-12-15(16(22)20-7-3-4-8-20)18(13-21)5-9-24-10-6-18/h14-15H,3-13H2,1-2H3,(H,19,23).
What are the key properties of N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 87054516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).