N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide

C20H26N4O2 — CID 167828482

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide
SMILESCc1ccc(C(=O)c2cn(CCC(=O)N(C)CC3CC3(C)C)nn2)cc1
InChIInChI=1S/C20H26N4O2/c1-14-5-7-15(8-6-14)19(26)17-13-24(22-21-17)10-9-18(25)23(4)12-16-11-20(16,2)3/h5-8,13,16H,9-12H2,1-4H3
InChIKeyHORMTOAGXFNJOT-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.71
Rot. Bonds7

About N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide

N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide (PubChem CID 167828482) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide
PubChem CID167828482
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide
SMILESCc1ccc(C(=O)c2cn(CCC(=O)N(C)CC3CC3(C)C)nn2)cc1
InChIInChI=1S/C20H26N4O2/c1-14-5-7-15(8-6-14)19(26)17-13-24(22-21-17)10-9-18(25)23(4)12-16-11-20(16,2)3/h5-8,13,16H,9-12H2,1-4H3
InChIKeyHORMTOAGXFNJOT-UHFFFAOYSA-N
XLogP2.71
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide 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-(2-aminoethyl)triazol-4-yl]-(4-chlorophenyl)methanone
CID 116583092
1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide
CID 138002402
phenyl-[1-(11-sulfanylundecyl)triazol-4-yl]methanone
CID 102165093
N-[5-(2-cyclopropylethynyl)-2-methylphenyl]-1-[3-(dimethylamino)-3-oxopropyl]-N-methyltriazole-4-carboxamide
CID 170762692
1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
CID 43267317
ethyl 1-[(4-methylphenyl)methyl]triazole-4-carboxylate
CID 849724
(4-aminophenyl)-(1-methyltriazol-4-yl)methanone
CID 130602661
1-[1-(2-aminoethyl)triazol-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 116583240
3-[4-(diethoxymethyl)triazol-1-yl]-N,N-dimethylpropanamide
CID 66216352
1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide
CID 79314420
[1-(2-aminoethyl)triazol-4-yl]-(3-ethylphenyl)methanone
CID 116583159
1-(4-bromophenyl)-2-[4-(4-methylphenyl)triazol-1-yl]ethanone
CID 53319965

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide (CID 167828482) is N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide is Cc1ccc(C(=O)c2cn(CCC(=O)N(C)CC3CC3(C)C)nn2)cc1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide?
The InChIKey is HORMTOAGXFNJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-5-7-15(8-6-14)19(26)17-13-24(22-21-17)10-9-18(25)23(4)12-16-11-20(16,2)3/h5-8,13,16H,9-12H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide?
N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-N-methyl-3-[4-(4-methylbenzoyl)triazol-1-yl]propanamide is sourced from PubChem (CID 167828482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).