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

C21H35N3O3 — CID 70707763

IUPAC3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=CCCC(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2
InChIInChI=1S/C21H35N3O3/c1-3-4-10-19(25)23-13-11-21(12-14-23)17-24(20(26)27-21)16-15-22(2)18-8-6-5-7-9-18/h3,18H,1,4-17H2,2H3
InChIKeyJZSXNPNJPRFVNO-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.03
Rot. Bonds7

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

3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70707763) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70707763
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=CCCC(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2
InChIInChI=1S/C21H35N3O3/c1-3-4-10-19(25)23-13-11-21(12-14-23)17-24(20(26)27-21)16-15-22(2)18-8-6-5-7-9-18/h3,18H,1,4-17H2,2H3
InChIKeyJZSXNPNJPRFVNO-UHFFFAOYSA-N
XLogP3.03
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-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-Butyryl-3-{2-[cyclohexyl(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70724735
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-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70732714
Tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683488
tert-butyl (3R)-3-(4-ethenyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168683490
Tert-butyl 2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate
CID 168683493

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70707763) is 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=CCCC(=O)N1CCC2(CC1)CN(CCN(C)C1CCCCC1)C(=O)O2.
What is the InChIKey of 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JZSXNPNJPRFVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-3-4-10-19(25)23-13-11-21(12-14-23)17-24(20(26)27-21)16-15-22(2)18-8-6-5-7-9-18/h3,18H,1,4-17H2,2H3.
What are the key properties of 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 377.53 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclohexyl(methyl)amino]ethyl]-8-pent-4-enoyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70707763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).