N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide

C13H16N2O3 — CID 110687182

IUPACN-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCOc1ccccc1NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-10(11)15-12(16)8-14-13(17)9-6-7-9/h2-5,9H,6-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyGSCHLKXSFRGWMI-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.16
Rot. Bonds5

About N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide

N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 110687182) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID110687182
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCOc1ccccc1NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-10(11)15-12(16)8-14-13(17)9-6-7-9/h2-5,9H,6-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyGSCHLKXSFRGWMI-UHFFFAOYSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998571
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide
CID 112998973
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47205603
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687188
4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148921
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 106133704
2-(cyclopentyloxyamino)-N-(2-methoxyphenyl)acetamide
CID 83228402

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide (CID 110687182) is N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide is COc1ccccc1NC(=O)CNC(=O)C1CC1.
What is the InChIKey of N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is GSCHLKXSFRGWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-10(11)15-12(16)8-14-13(17)9-6-7-9/h2-5,9H,6-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide?
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110687182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).