N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide

C17H21N5O2 — CID 112519965

IUPACN-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CCC2)nn1)NCCc1ccccc1
InChIInChI=1S/C17H21N5O2/c23-16(18-10-9-13-5-2-1-3-6-13)12-22-11-15(20-21-22)19-17(24)14-7-4-8-14/h1-3,5-6,11,14H,4,7-10,12H2,(H,18,23)(H,19,24)
InChIKeyUXWRLSBAWQYKRK-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.38
Rot. Bonds7

About N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide

N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide (PubChem CID 112519965) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
PubChem CID112519965
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESO=C(Cn1cc(NC(=O)C2CCC2)nn1)NCCc1ccccc1
InChIInChI=1S/C17H21N5O2/c23-16(18-10-9-13-5-2-1-3-6-13)12-22-11-15(20-21-22)19-17(24)14-7-4-8-14/h1-3,5-6,11,14H,4,7-10,12H2,(H,18,23)(H,19,24)
InChIKeyUXWRLSBAWQYKRK-UHFFFAOYSA-N
XLogP1.38
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112529265
N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520299
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520718
N-[1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520335
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112522139
2-(4-acetamidotriazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 112529522
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 63999159
methyl N-[1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112529072
ethyl N-[1-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112528965
N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112529458

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide (CID 112519965) is N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide is O=C(Cn1cc(NC(=O)C2CCC2)nn1)NCCc1ccccc1.
What is the InChIKey of N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide?
The InChIKey is UXWRLSBAWQYKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16(18-10-9-13-5-2-1-3-6-13)12-22-11-15(20-21-22)19-17(24)14-7-4-8-14/h1-3,5-6,11,14H,4,7-10,12H2,(H,18,23)(H,19,24).
What are the key properties of N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide?
N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 112519965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).