3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C22H37N3O3 — CID 70732714

IUPAC3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=CCCC(=O)N1CCC2(CC1)CN(CCCN(C)C1CCCCC1)C(=O)O2
InChIInChI=1S/C22H37N3O3/c1-3-4-11-20(26)24-16-12-22(13-17-24)18-25(21(27)28-22)15-8-14-23(2)19-9-6-5-7-10-19/h3,19H,1,4-18H2,2H3
InChIKeyCKCLBECYMVOTIA-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.42
Rot. Bonds8

About 3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70732714) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70732714
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=CCCC(=O)N1CCC2(CC1)CN(CCCN(C)C1CCCCC1)C(=O)O2
InChIInChI=1S/C22H37N3O3/c1-3-4-11-20(26)24-16-12-22(13-17-24)18-25(21(27)28-22)15-8-14-23(2)19-9-6-5-7-10-19/h3,19H,1,4-18H2,2H3
InChIKeyCKCLBECYMVOTIA-UHFFFAOYSA-N
XLogP3.42
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-{2-[Cyclohexyl(methyl)amino]ethyl}-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70707763
3-(3-Methylbutyl)-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70724677
3-{3-[Cyclohexyl(methyl)amino]propyl}-8-propionyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70738246
Tert-butyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683871

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70732714) is 3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=CCCC(=O)N1CCC2(CC1)CN(CCCN(C)C1CCCCC1)C(=O)O2.
What is the InChIKey of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CKCLBECYMVOTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-3-4-11-20(26)24-16-12-22(13-17-24)18-25(21(27)28-22)15-8-14-23(2)19-9-6-5-7-10-19/h3,19H,1,4-18H2,2H3.
What are the key properties of 3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[3-[cyclohexyl(methyl)amino]propyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 391.56 g/mol, XLogP of 3.42, 8 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-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70732714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).