N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

C22H24N6O3 — CID 46494652

IUPACN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)n2)c(C)c1
InChIInChI=1S/C22H24N6O3/c1-13-4-9-18(14(2)10-13)28-26-15(3)20(27-28)22(31)24-11-16-5-7-17(8-6-16)21(30)25-12-19(23)29/h4-10H,11-12H2,1-3H3,(H2,23,29)(H,24,31)(H,25,30)
InChIKeyIKKNUWDXFXCRCI-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.34
Rot. Bonds7

About N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 46494652) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID46494652
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)n2)c(C)c1
InChIInChI=1S/C22H24N6O3/c1-13-4-9-18(14(2)10-13)28-26-15(3)20(27-28)22(31)24-11-16-5-7-17(8-6-16)21(30)25-12-19(23)29/h4-10H,11-12H2,1-3H3,(H2,23,29)(H,24,31)(H,25,30)
InChIKeyIKKNUWDXFXCRCI-UHFFFAOYSA-N
XLogP1.34
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-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-[[4-(dimethylamino)phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 26819803
2-(2,4-dimethylphenyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-5-methyltriazole-4-carboxamide
CID 46476234
2-(2,4-dimethylphenyl)-5-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]triazole-4-carboxamide
CID 55647317
2-(3-chlorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 9455454
N-[4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46553835
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate
CID 8981056
N-[[4-(butylcarbamoyl)phenyl]methyl]-2-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 78872472
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 46494617
2-(2,4-dimethylphenyl)-N'-(2-hydroxybenzoyl)-5-methyltriazole-4-carbohydrazide
CID 27698207
N-[(3,4-difluorophenyl)methyl]-2-(2,4-dimethylphenyl)-N,5-dimethyltriazole-4-carboxamide
CID 55558028
2-(2,4-dimethylphenyl)-N-[2-(3-ethynylanilino)-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 55835887
methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide (CID 46494652) is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)n2)c(C)c1.
What is the InChIKey of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is IKKNUWDXFXCRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-13-4-9-18(14(2)10-13)28-26-15(3)20(27-28)22(31)24-11-16-5-7-17(8-6-16)21(30)25-12-19(23)29/h4-10H,11-12H2,1-3H3,(H2,23,29)(H,24,31)(H,25,30).
What are the key properties of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide?
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 46494652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).