N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide

C22H26N4O — CID 72896575

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide
SMILESCc1nc(C)n(CCNC(=O)CC(c2ccccc2)c2ccccc2C)n1
InChIInChI=1S/C22H26N4O/c1-16-9-7-8-12-20(16)21(19-10-5-4-6-11-19)15-22(27)23-13-14-26-18(3)24-17(2)25-26/h4-12,21H,13-15H2,1-3H3,(H,23,27)
InChIKeyWJFFNLGYMCTZDG-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.54
Rot. Bonds7

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide (PubChem CID 72896575) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide
PubChem CID72896575
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide
SMILESCc1nc(C)n(CCNC(=O)CC(c2ccccc2)c2ccccc2C)n1
InChIInChI=1S/C22H26N4O/c1-16-9-7-8-12-20(16)21(19-10-5-4-6-11-19)15-22(27)23-13-14-26-18(3)24-17(2)25-26/h4-12,21H,13-15H2,1-3H3,(H,23,27)
InChIKeyWJFFNLGYMCTZDG-UHFFFAOYSA-N
XLogP3.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(2-methylphenyl)-3-phenyl-N-(2-propan-2-ylsulfonylethyl)propanamide
CID 97284820
(3R)-3-(2-methylphenyl)-3-phenyl-N-[2-(pyridin-3-ylamino)ethyl]propanamide
CID 97282614
3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 45207071
(2R)-2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97117026
(3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(2-methylphenyl)-3-phenylpropanamide
CID 97273006
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]aniline
CID 62567609
3,3-diphenyl-N-[2-(triazol-2-yl)ethyl]propanamide
CID 121177290
1-(2-methylphenyl)-1-phenylpentan-3-one
CID 102348296
3-(2-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylpropanamide
CID 72925472
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
3,3-diphenyl-N-propylpropanamide
CID 4638647
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 72850665

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide (CID 72896575) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide is Cc1nc(C)n(CCNC(=O)CC(c2ccccc2)c2ccccc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide?
The InChIKey is WJFFNLGYMCTZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-9-7-8-12-20(16)21(19-10-5-4-6-11-19)15-22(27)23-13-14-26-18(3)24-17(2)25-26/h4-12,21H,13-15H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide has a molecular weight of 362.48 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-3-(2-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 72896575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).