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

C16H19N5O2 — CID 112521085

IUPACN-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESCc1ccc(NC(=O)Cn2cc(NC(=O)C3CCC3)nn2)cc1
InChIInChI=1S/C16H19N5O2/c1-11-5-7-13(8-6-11)17-15(22)10-21-9-14(19-20-21)18-16(23)12-3-2-4-12/h5-9,12H,2-4,10H2,1H3,(H,17,22)(H,18,23)
InChIKeyZWQURVYYMNEGAU-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.96
Rot. Bonds5

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

N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide (PubChem CID 112521085) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
PubChem CID112521085
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESCc1ccc(NC(=O)Cn2cc(NC(=O)C3CCC3)nn2)cc1
InChIInChI=1S/C16H19N5O2/c1-11-5-7-13(8-6-11)17-15(22)10-21-9-14(19-20-21)18-16(23)12-3-2-4-12/h5-9,12H,2-4,10H2,1H3,(H,17,22)(H,18,23)
InChIKeyZWQURVYYMNEGAU-UHFFFAOYSA-N
XLogP1.96
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525290
N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525952
N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525391
N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520299
N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112529265
N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521428
2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
CID 66215783
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520718
N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112519965
N-[1-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112527438
N-[1-[2-(1H-indazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112527315
N-[1-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525950

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide (CID 112521085) is N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide is Cc1ccc(NC(=O)Cn2cc(NC(=O)C3CCC3)nn2)cc1.
What is the InChIKey of N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
The InChIKey is ZWQURVYYMNEGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-5-7-13(8-6-11)17-15(22)10-21-9-14(19-20-21)18-16(23)12-3-2-4-12/h5-9,12H,2-4,10H2,1H3,(H,17,22)(H,18,23).
What are the key properties of N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide?
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 112521085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).