[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C20H19N3O5 — CID 8886887

IUPAC[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C20H19N3O5/c1-23-10-4-9-17(23)20(26)28-13-18(24)22-16-8-3-2-7-15(16)19(25)21-12-14-6-5-11-27-14/h2-11H,12-13H2,1H3,(H,21,25)(H,22,24)
InChIKeyRRSTUSBNKMWPIP-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.34
Rot. Bonds7

About [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 8886887) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID8886887
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C20H19N3O5/c1-23-10-4-9-17(23)20(26)28-13-18(24)22-16-8-3-2-7-15(16)19(25)21-12-14-6-5-11-27-14/h2-11H,12-13H2,1H3,(H,21,25)(H,22,24)
InChIKeyRRSTUSBNKMWPIP-UHFFFAOYSA-N
XLogP2.34
TPSA102.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 9201730
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 9198960
N-(furan-2-ylmethyl)-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 4938414
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4938454
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 8886887) is [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCC(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is RRSTUSBNKMWPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-23-10-4-9-17(23)20(26)28-13-18(24)22-16-8-3-2-7-15(16)19(25)21-12-14-6-5-11-27-14/h2-11H,12-13H2,1H3,(H,21,25)(H,22,24).
What are the key properties of [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 381.39 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 8886887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).