2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C17H29N3O3 — CID 131693074

IUPAC2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCCCC(=O)N1CC2(C1)CN(C)C(C(=O)NC1CCCC1)CO2
InChIInChI=1S/C17H29N3O3/c1-3-6-15(21)20-11-17(12-20)10-19(2)14(9-23-17)16(22)18-13-7-4-5-8-13/h13-14H,3-12H2,1-2H3,(H,18,22)
InChIKeyFBKMDKULTTUSRE-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.76
Rot. Bonds4

About 2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 131693074) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID131693074
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCCCC(=O)N1CC2(C1)CN(C)C(C(=O)NC1CCCC1)CO2
InChIInChI=1S/C17H29N3O3/c1-3-6-15(21)20-11-17(12-20)10-19(2)14(9-23-17)16(22)18-13-7-4-5-8-13/h13-14H,3-12H2,1-2H3,(H,18,22)
InChIKeyFBKMDKULTTUSRE-UHFFFAOYSA-N
XLogP0.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide with MolForge

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Related Compounds

2-butanoyl-8-(cyclopropylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693582
1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
CID 110819357
N-(2-methoxyethyl)-8-methyl-2-pentanoyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155866411
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
N,N,8-trimethyl-2-(4-methylpentanoyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693240
ethyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 110819279
N-cyclooctylbutanamide
CID 4614062
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
5-butanoyl-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693163
1-[8-(2-oxo-2-pyrrolidin-1-ylethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]butan-1-one
CID 131692868

Frequently Asked Questions

What is the IUPAC name of 2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 131693074) is 2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CCCC(=O)N1CC2(C1)CN(C)C(C(=O)NC1CCCC1)CO2.
What is the InChIKey of 2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is FBKMDKULTTUSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-3-6-15(21)20-11-17(12-20)10-19(2)14(9-23-17)16(22)18-13-7-4-5-8-13/h13-14H,3-12H2,1-2H3,(H,18,22).
What are the key properties of 2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butanoyl-N-cyclopentyl-8-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 131693074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).