N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide

C14H18N4O2 — CID 82202096

IUPACN-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1cc(CO)nn1)c1cccc(C)c1
InChIInChI=1S/C14H18N4O2/c1-3-18(13-6-4-5-11(2)7-13)14(20)9-17-8-12(10-19)15-16-17/h4-8,19H,3,9-10H2,1-2H3
InChIKeyKAHXRPLUGTYRAP-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.13
Rot. Bonds5

About N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide

N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 82202096) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID82202096
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1cc(CO)nn1)c1cccc(C)c1
InChIInChI=1S/C14H18N4O2/c1-3-18(13-6-4-5-11(2)7-13)14(20)9-17-8-12(10-19)15-16-17/h4-8,19H,3,9-10H2,1-2H3
InChIKeyKAHXRPLUGTYRAP-UHFFFAOYSA-N
XLogP1.13
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide 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

2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide
CID 62055304
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol
CID 24786458
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-N-(3-methylphenyl)-2-[4-(4-methylphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 50841164
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-(3-methylphenyl)acetamide
CID 61075325
2-[4-(hydroxymethyl)triazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 55067182
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 112684612
N-[(3-chlorophenyl)methyl]-2-[4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 62400746
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide (CID 82202096) is N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide is CCN(C(=O)Cn1cc(CO)nn1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is KAHXRPLUGTYRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-18(13-6-4-5-11(2)7-13)14(20)9-17-8-12(10-19)15-16-17/h4-8,19H,3,9-10H2,1-2H3.
What are the key properties of N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide?
N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 82202096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).