N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

C21H22ClN3O2 — CID 91151324

IUPACN-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C21H22ClN3O2/c22-18-8-6-17(7-9-18)19-14-21(27-24-19)10-12-25(13-11-21)20(26)23-15-16-4-2-1-3-5-16/h1-9,14,24H,10-13,15H2,(H,23,26)
InChIKeyOKNLQGYBLOPSAZ-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.96
Rot. Bonds3

About N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 91151324) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
PubChem CID91151324
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1
InChIInChI=1S/C21H22ClN3O2/c22-18-8-6-17(7-9-18)19-14-21(27-24-19)10-12-25(13-11-21)20(26)23-15-16-4-2-1-3-5-16/h1-9,14,24H,10-13,15H2,(H,23,26)
InChIKeyOKNLQGYBLOPSAZ-UHFFFAOYSA-N
XLogP3.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-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

1-(1-Benzyl-piperidin-4-yl)-4-(4-chloro-phenyl)-5-methyl-1,3-dihydro-imidazol-2-one
CID 10643588
1-[1-(4-Chloro-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10762432
4-benzyl-N-(4-chlorobenzyl)-1-piperazinecarboxamide
CID 851982
4-(4-Chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one
CID 10340786
N-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 99170616
3-(1-benzylpiperidin-4-yl)-4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-one
CID 21465523
5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one
CID 21465541
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90708567
N-[(4-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91047608
3-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91238536
N-benzyl-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91307070
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91345361

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The IUPAC name of N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 91151324) is N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The canonical SMILES for N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is O=C(NCc1ccccc1)N1CCC2(C=C(c3ccc(Cl)cc3)NO2)CC1.
What is the InChIKey of N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The InChIKey is OKNLQGYBLOPSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-18-8-6-17(7-9-18)19-14-21(27-24-19)10-12-25(13-11-21)20(26)23-15-16-4-2-1-3-5-16/h1-9,14,24H,10-13,15H2,(H,23,26).
What are the key properties of N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 91151324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).