N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide

C20H19N5O3 — CID 55618105

IUPACN-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)Nc1ccccc1-n1cncn1
InChIInChI=1S/C20H19N5O3/c26-19(24-17-6-1-2-7-18(17)25-13-21-12-22-25)11-28-16-5-3-4-15(10-16)23-20(27)14-8-9-14/h1-7,10,12-14H,8-9,11H2,(H,23,27)(H,24,26)
InChIKeyOEPFGXPHKQAICQ-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.63
Rot. Bonds7

About N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 55618105) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide
PubChem CID55618105
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)Nc1ccccc1-n1cncn1
InChIInChI=1S/C20H19N5O3/c26-19(24-17-6-1-2-7-18(17)25-13-21-12-22-25)11-28-16-5-3-4-15(10-16)23-20(27)14-8-9-14/h1-7,10,12-14H,8-9,11H2,(H,23,27)(H,24,26)
InChIKeyOEPFGXPHKQAICQ-UHFFFAOYSA-N
XLogP2.63
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
N-[3-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55677177
N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 60562038
4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55993380
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
4-oxo-4-[2-(1,2,4-triazol-1-yl)anilino]butanoic acid
CID 54867933
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55900938
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 8794748
N-[3-[2-[4,5-dimethoxy-2-(piperidine-1-carbonyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55639706
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39505500

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide (CID 55618105) is N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide is O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1ccccc1-n1cncn1.
What is the InChIKey of N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is OEPFGXPHKQAICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-19(24-17-6-1-2-7-18(17)25-13-21-12-22-25)11-28-16-5-3-4-15(10-16)23-20(27)14-8-9-14/h1-7,10,12-14H,8-9,11H2,(H,23,27)(H,24,26).
What are the key properties of N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[2-(1,2,4-triazol-1-yl)anilino]ethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55618105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).