N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide

C18H23N5O2 — CID 112529265

IUPACN-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESCc1ccccc1CCNC(=O)Cn1cc(NC(=O)C2CCC2)nn1
InChIInChI=1S/C18H23N5O2/c1-13-5-2-3-6-14(13)9-10-19-17(24)12-23-11-16(21-22-23)20-18(25)15-7-4-8-15/h2-3,5-6,11,15H,4,7-10,12H2,1H3,(H,19,24)(H,20,25)
InChIKeyOJGRXLHXBGHROH-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.68
Rot. Bonds7

About N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide

N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide (PubChem CID 112529265) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
PubChem CID112529265
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESCc1ccccc1CCNC(=O)Cn1cc(NC(=O)C2CCC2)nn1
InChIInChI=1S/C18H23N5O2/c1-13-5-2-3-6-14(13)9-10-19-17(24)12-23-11-16(21-22-23)20-18(25)15-7-4-8-15/h2-3,5-6,11,15H,4,7-10,12H2,1H3,(H,19,24)(H,20,25)
InChIKeyOJGRXLHXBGHROH-UHFFFAOYSA-N
XLogP1.68
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112519965
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520718
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085
N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112529458
2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383
N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520299
N-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520335
N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525290
N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521428
N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112522139
N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112529386
N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112532276

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide (CID 112529265) is N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide is Cc1ccccc1CCNC(=O)Cn1cc(NC(=O)C2CCC2)nn1.
What is the InChIKey of N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
The InChIKey is OJGRXLHXBGHROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-5-2-3-6-14(13)9-10-19-17(24)12-23-11-16(21-22-23)20-18(25)15-7-4-8-15/h2-3,5-6,11,15H,4,7-10,12H2,1H3,(H,19,24)(H,20,25).
What are the key properties of N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 112529265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).