[2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

C15H19NO4 — CID 4675064

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)C2CC2C)cc1
InChIInChI=1S/C15H19NO4/c1-3-19-12-6-4-11(5-7-12)16-14(17)9-20-15(18)13-8-10(13)2/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyMCUIYEXCQGFAQP-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.22
Rot. Bonds6

About [2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

[2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 4675064) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
PubChem CID4675064
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)C2CC2C)cc1
InChIInChI=1S/C15H19NO4/c1-3-19-12-6-4-11(5-7-12)16-14(17)9-20-15(18)13-8-10(13)2/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyMCUIYEXCQGFAQP-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Phenacetin
CID 4754
Diacetamate
CID 17499
N-(4-Ethoxyphenyl)-3-oxobutanamide
CID 61053
Ncx-701
CID 6918532
Phenoxyacetanilide
CID 264248
Acetamide, N-(4-butoxyphenyl)-
CID 90165
(4Z)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5917797
4-[(4-Ethoxyphenyl)amino]-4-oxobutanoic acid
CID 307455
2-methyl-N-(4-phenoxyphenyl)propanamide
CID 874249
N-(4-phenoxyphenyl)cyclopropanecarboxamide
CID 2163906
N-(4-phenoxyphenyl)tetrahydro-2-furancarboxamide
CID 2862126
N-(4-methoxyphenyl)cyclopentanecarboxamide
CID 531886

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (CID 4675064) is [2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is CCOc1ccc(NC(=O)COC(=O)C2CC2C)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is MCUIYEXCQGFAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-19-12-6-4-11(5-7-12)16-14(17)9-20-15(18)13-8-10(13)2/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
[2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 4675064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).