2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C11H18N4O2 — CID 103164811

IUPAC2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCCOC1CC(CC(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C11H18N4O2/c1-2-17-9-3-8(4-9)5-11(16)12-6-10-13-7-14-15-10/h7-9H,2-6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyCAZQHKUKWVXPPB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.63
Rot. Bonds6

About 2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 103164811) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID103164811
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCCOC1CC(CC(=O)NCc2ncn[nH]2)C1
InChIInChI=1S/C11H18N4O2/c1-2-17-9-3-8(4-9)5-11(16)12-6-10-13-7-14-15-10/h7-9H,2-6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyCAZQHKUKWVXPPB-UHFFFAOYSA-N
XLogP0.63
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
ethyl 4-oxo-4-(1H-1,2,4-triazol-5-ylmethylamino)butanoate
CID 60982678
2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983446
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 61365653
2-(3-ethoxycyclobutyl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide
CID 103164863
N-(2-amino-2-hydroxyiminoethyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166100
3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54883297
N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164854
N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166726
2-cyclobutyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725330

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 103164811) is 2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CCOC1CC(CC(=O)NCc2ncn[nH]2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is CAZQHKUKWVXPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-17-9-3-8(4-9)5-11(16)12-6-10-13-7-14-15-10/h7-9H,2-6H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of 2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 103164811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).