[2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate

C15H14N2O5 — CID 7662936

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H14N2O5/c1-9-12(6-7-21-9)15(20)22-8-13(18)17-11-4-2-10(3-5-11)14(16)19/h2-7H,8H2,1H3,(H2,16,19)(H,17,18)
InChIKeyZZYMBSHXFXIFAC-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.48
Rot. Bonds5

About [2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate

[2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate (PubChem CID 7662936) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
PubChem CID7662936
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H14N2O5/c1-9-12(6-7-21-9)15(20)22-8-13(18)17-11-4-2-10(3-5-11)14(16)19/h2-7H,8H2,1H3,(H2,16,19)(H,17,18)
InChIKeyZZYMBSHXFXIFAC-UHFFFAOYSA-N
XLogP1.48
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-methylfuran-3-carboxylate
CID 3900377
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7662678
[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8967009
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 27625804
[2-(3-cyanoanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966209
[2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8965756
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605601
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663401
[2-(4-carbamoylanilino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4148132
[2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503755
[2-(4-carbamoylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538421
[2-[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8967433

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate (CID 7662936) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate is Cc1occc1C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The InChIKey is ZZYMBSHXFXIFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-9-12(6-7-21-9)15(20)22-8-13(18)17-11-4-2-10(3-5-11)14(16)19/h2-7H,8H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate has a molecular weight of 302.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 7662936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).