N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide

C24H27ClN4O4 — CID 20911591

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1Cl
InChIInChI=1S/C24H27ClN4O4/c1-14-5-6-16(11-15(14)2)21-22(30)28-24(27-21)7-9-29(10-8-24)23(31)26-18-12-17(25)19(32-3)13-20(18)33-4/h5-6,11-13H,7-10H2,1-4H3,(H,26,31)(H,28,30)
InChIKeyUPPBNMHPWCOLKQ-UHFFFAOYSA-N
MW470.96 g/mol
LogP3.92
Rot. Bonds4

About N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 20911591) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
PubChem CID20911591
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESCOc1cc(OC)c(NC(=O)N2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1Cl
InChIInChI=1S/C24H27ClN4O4/c1-14-5-6-16(11-15(14)2)21-22(30)28-24(27-21)7-9-29(10-8-24)23(31)26-18-12-17(25)19(32-3)13-20(18)33-4/h5-6,11-13H,7-10H2,1-4H3,(H,26,31)(H,28,30)
InChIKeyUPPBNMHPWCOLKQ-UHFFFAOYSA-N
XLogP3.92
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
CID 53029712
N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
CID 20911561
3-(3,4-dimethylphenyl)-8-(3-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911497
2-[3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(4-methylphenyl)acetamide
CID 53029409
N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
CID 20911603
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 3404420
3-(4-methylphenyl)-8-(3,4,5-trimethoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911524
N-(2,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-3-methylsulfanyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
CID 71843738
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 23934790
N-(5-chloro-2,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 23934669
N-(5-chloro-2,4-dimethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098533
N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 108988465

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide (CID 20911591) is N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide is COc1cc(OC)c(NC(=O)N2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
The InChIKey is UPPBNMHPWCOLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c1-14-5-6-16(11-15(14)2)21-22(30)28-24(27-21)7-9-29(10-8-24)23(31)26-18-12-17(25)19(32-3)13-20(18)33-4/h5-6,11-13H,7-10H2,1-4H3,(H,26,31)(H,28,30).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 470.96 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 20911591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).