N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide

C15H20N6O2 — CID 50985492

IUPACN-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CNC(C)c2ncn[nH]2)cc1
InChIInChI=1S/C15H20N6O2/c1-10(15-18-9-19-21-15)16-8-14(23)17-7-12-3-5-13(6-4-12)20-11(2)22/h3-6,9-10,16H,7-8H2,1-2H3,(H,17,23)(H,20,22)(H,18,19,21)
InChIKeyFADXNAMRLZOFKU-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.73
Rot. Bonds7

About N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide

N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide (PubChem CID 50985492) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide
PubChem CID50985492
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CNC(C)c2ncn[nH]2)cc1
InChIInChI=1S/C15H20N6O2/c1-10(15-18-9-19-21-15)16-8-14(23)17-7-12-3-5-13(6-4-12)20-11(2)22/h3-6,9-10,16H,7-8H2,1-2H3,(H,17,23)(H,20,22)(H,18,19,21)
InChIKeyFADXNAMRLZOFKU-UHFFFAOYSA-N
XLogP0.73
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716266
methyl 4-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]benzoate
CID 103952901
N-[(4-methylphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103952879
N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide
CID 91843310
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47412659
1-phenyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103886618
N-[(4-acetamidophenyl)methyl]-2-methoxyacetamide
CID 29327648
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301966
N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide
CID 170399576
2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
CID 43224047

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide (CID 50985492) is N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide is CC(=O)Nc1ccc(CNC(=O)CNC(C)c2ncn[nH]2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide?
The InChIKey is FADXNAMRLZOFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10(15-18-9-19-21-15)16-8-14(23)17-7-12-3-5-13(6-4-12)20-11(2)22/h3-6,9-10,16H,7-8H2,1-2H3,(H,17,23)(H,20,22)(H,18,19,21).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide?
N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide has a molecular weight of 316.37 g/mol, XLogP of 0.73, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]acetamide is sourced from PubChem (CID 50985492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).