3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide

C20H23N5O — CID 71461338

IUPAC3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1
InChIInChI=1S/C20H23N5O/c1-20(2,19(26)21-3)18(25-14-22-13-23-25)15-9-11-17(12-10-15)24-16-7-5-4-6-8-16/h4-14,18,24H,1-3H3,(H,21,26)
InChIKeyUJHBFYFGUWEEBR-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.38
Rot. Bonds6

About 3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide

3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 71461338) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID71461338
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1
InChIInChI=1S/C20H23N5O/c1-20(2,19(26)21-3)18(25-14-22-13-23-25)15-9-11-17(12-10-15)24-16-7-5-4-6-8-16/h4-14,18,24H,1-3H3,(H,21,26)
InChIKeyUJHBFYFGUWEEBR-UHFFFAOYSA-N
XLogP3.38
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
CID 71460994
N-(4-isopropylphenyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-3-piperidinamine
CID 24818921
2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(2-[1,2,4]triazol-1-yl-benzyl)-acetamide
CID 44332921
N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 54758312
3-(4-anilinophenyl)-3-imidazol-1-yl-N,2,2-trimethylpropanamide
CID 71457689
Methyl 3-(4-anilinophenyl)-2,2-dimethyl-3-(1,2,4-triazol-1-yl)propanoate
CID 71463058
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 9120296
4-(dimethylamino)-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588891
N-(2,4-dimethylphenyl)-5-methyl-7-(2-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410496
7-(4-(Diethylamino)phenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410504
N-(2,4-dimethylphenyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135510957
N-(cyanomethyl)-4-methyl-2-[3-[4-(tetrazol-1-yl)phenyl]phenyl]pentanamide
CID 44347827

Frequently Asked Questions

What is the IUPAC name of 3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of 3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide (CID 71461338) is 3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for 3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for 3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide is CNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1.
What is the InChIKey of 3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is UJHBFYFGUWEEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-20(2,19(26)21-3)18(25-14-22-13-23-25)15-9-11-17(12-10-15)24-16-7-5-4-6-8-16/h4-14,18,24H,1-3H3,(H,21,26).
What are the key properties of 3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide?
3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 349.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 71461338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).