N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide

C12H22N6O2 — CID 66193581

IUPACN-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
SMILESCC(=O)NCCNC(=O)Cn1cc(CNC(C)C)nn1
InChIInChI=1S/C12H22N6O2/c1-9(2)15-6-11-7-18(17-16-11)8-12(20)14-5-4-13-10(3)19/h7,9,15H,4-6,8H2,1-3H3,(H,13,19)(H,14,20)
InChIKeyGWJASBUAADFJND-UHFFFAOYSA-N
MW282.35 g/mol
LogP-0.97
Rot. Bonds8

About N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide

N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide (PubChem CID 66193581) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
PubChem CID66193581
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC NameN-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
SMILESCC(=O)NCCNC(=O)Cn1cc(CNC(C)C)nn1
InChIInChI=1S/C12H22N6O2/c1-9(2)15-6-11-7-18(17-16-11)8-12(20)14-5-4-13-10(3)19/h7,9,15H,4-6,8H2,1-3H3,(H,13,19)(H,14,20)
InChIKeyGWJASBUAADFJND-UHFFFAOYSA-N
XLogP-0.97
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]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

N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide
CID 66194155
N-(2-acetamidoethyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
CID 114419547
N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194141
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194550
ethane;N-[2-(methylamino)ethyl]-2-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethylamino]acetamide
CID 176576322
1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997
N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193364
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
CID 62399435
3-methyl-1-[4-[2-(propan-2-ylamino)ethyl]triazol-1-yl]butan-2-one
CID 167379866
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide (CID 66193581) is N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide is CC(=O)NCCNC(=O)Cn1cc(CNC(C)C)nn1.
What is the InChIKey of N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The InChIKey is GWJASBUAADFJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-9(2)15-6-11-7-18(17-16-11)8-12(20)14-5-4-13-10(3)19/h7,9,15H,4-6,8H2,1-3H3,(H,13,19)(H,14,20).
What are the key properties of N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide has a molecular weight of 282.35 g/mol, XLogP of -0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 66193581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).