[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate

C14H16N2O4 — CID 35051099

IUPAC[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)C2CC2)c1
InChIInChI=1S/C14H16N2O4/c1-15-13(18)10-3-2-4-11(7-10)16-12(17)8-20-14(19)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyMKRUSRMVAXOHGJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.94
Rot. Bonds5

About [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 35051099) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID35051099
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)C2CC2)c1
InChIInChI=1S/C14H16N2O4/c1-15-13(18)10-3-2-4-11(7-10)16-12(17)8-20-14(19)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyMKRUSRMVAXOHGJ-UHFFFAOYSA-N
XLogP0.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 7863201
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate
CID 42151008
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8806019
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007695
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007692
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate
CID 46668098
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
CID 17396359
[2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 7794425
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate
CID 18102829

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate (CID 35051099) is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate is CNC(=O)c1cccc(NC(=O)COC(=O)C2CC2)c1.
What is the InChIKey of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is MKRUSRMVAXOHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-15-13(18)10-3-2-4-11(7-10)16-12(17)8-20-14(19)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 276.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 35051099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).