3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H35N3O3 — CID 70738246

IUPAC3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(=O)N1CCC2(CC1)CN(CCCN(C)C1CCCCC1)C(=O)O2
InChIInChI=1S/C20H35N3O3/c1-3-18(24)22-14-10-20(11-15-22)16-23(19(25)26-20)13-7-12-21(2)17-8-5-4-6-9-17/h17H,3-16H2,1-2H3
InChIKeySLYINFRNAJDSEH-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.86
Rot. Bonds6

About 3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70738246) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is 3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70738246
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(=O)N1CCC2(CC1)CN(CCCN(C)C1CCCCC1)C(=O)O2
InChIInChI=1S/C20H35N3O3/c1-3-18(24)22-14-10-20(11-15-22)16-23(19(25)26-20)13-7-12-21(2)17-8-5-4-6-9-17/h17H,3-16H2,1-2H3
InChIKeySLYINFRNAJDSEH-UHFFFAOYSA-N
XLogP2.86
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Cyclohexyl-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70752778
8-[(2S)-4-(dimethylamino)butan-2-yl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95897366
3-(1-Methylbutyl)-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729080
3-[(2R)-pentan-2-yl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 96376731
3-[(2S)-pentan-2-yl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 96376733
3-{3-[Cyclohexyl(methyl)amino]propyl}-8-glycoloyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70708137
8-Butyryl-3-{2-[cyclohexyl(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70724735
3,8-Di(propan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 23594853
3-Methyl-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 68391989
Tert-butyl 4-[cyclohexyl(2-ethyl-butanoyl)amino]piperidine-1-carboxylate
CID 69349279
8-Methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 71166979
Tert-butyl 3-cyclohexyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 156461044

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70738246) is 3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCC(=O)N1CCC2(CC1)CN(CCCN(C)C1CCCCC1)C(=O)O2.
What is the InChIKey of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SLYINFRNAJDSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-3-18(24)22-14-10-20(11-15-22)16-23(19(25)26-20)13-7-12-21(2)17-8-5-4-6-9-17/h17H,3-16H2,1-2H3.
What are the key properties of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 365.52 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-propanoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70738246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).