N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C20H24ClN3O3 — CID 134079607

IUPACN-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=NOC2(CCCN(C(=O)C3CCCC3)C2)C1
InChIInChI=1S/C20H24ClN3O3/c21-15-7-3-8-16(11-15)22-18(25)17-12-20(27-23-17)9-4-10-24(13-20)19(26)14-5-1-2-6-14/h3,7-8,11,14H,1-2,4-6,9-10,12-13H2,(H,22,25)
InChIKeyPIQXXKQRLPHLRA-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.61
Rot. Bonds3

About N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 134079607) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID134079607
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1=NOC2(CCCN(C(=O)C3CCCC3)C2)C1
InChIInChI=1S/C20H24ClN3O3/c21-15-7-3-8-16(11-15)22-18(25)17-12-20(27-23-17)9-4-10-24(13-20)19(26)14-5-1-2-6-14/h3,7-8,11,14H,1-2,4-6,9-10,12-13H2,(H,22,25)
InChIKeyPIQXXKQRLPHLRA-UHFFFAOYSA-N
XLogP3.61
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide 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

N-(3-chlorophenyl)-9-propanoyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075704
9-benzoyl-N-(3-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134079601
N-(3-chlorophenyl)-9-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155876407
N-(3-chlorophenyl)-9-(2-phenylethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155874709
N-phenyl-9-(1H-pyrrole-3-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691420
N-phenyl-9-(1H-pyrazole-5-carbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131691289
(5S)-9-(3-methylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97490769
9-(3,5-dimethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 134075172
(5R)-9-N-phenyl-3-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97491056
9-(4-ethylbenzoyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131647681
(5S)-9-N-(3-fluorophenyl)-3-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97490875
(5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97396115

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 134079607) is N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1=NOC2(CCCN(C(=O)C3CCCC3)C2)C1.
What is the InChIKey of N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is PIQXXKQRLPHLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-15-7-3-8-16(11-15)22-18(25)17-12-20(27-23-17)9-4-10-24(13-20)19(26)14-5-1-2-6-14/h3,7-8,11,14H,1-2,4-6,9-10,12-13H2,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-9-(cyclopentanecarbonyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 134079607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).