N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide

C16H22N4O — CID 56744729

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide
SMILESCCn1cnnc1CCNC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-4-20-12-18-19-14(20)10-11-17-15(21)16(2,3)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,17,21)
InChIKeyDGLPKACHMQQFQK-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.93
Rot. Bonds6

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

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide (PubChem CID 56744729) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide
PubChem CID56744729
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide
SMILESCCn1cnnc1CCNC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-4-20-12-18-19-14(20)10-11-17-15(21)16(2,3)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,17,21)
InChIKeyDGLPKACHMQQFQK-UHFFFAOYSA-N
XLogP1.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide
CID 84586418
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 56904450
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72928708
2-methyl-N-[2-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 46531773
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
2-(4-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62692798
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
CID 47012383
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide
CID 106303592
2-amino-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-phenylpropanamide
CID 120597117
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutanamide
CID 106302587
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131905838
3-[(3-bromobenzoyl)amino]-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 86935598

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide (CID 56744729) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide is CCn1cnnc1CCNC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide?
The InChIKey is DGLPKACHMQQFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-20-12-18-19-14(20)10-11-17-15(21)16(2,3)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 56744729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).