ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate

C18H22N4O5 — CID 71852377

IUPACethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N2CCCC2C(=O)NCc2ccco2)c[nH]1
InChIInChI=1S/C18H22N4O5/c1-2-26-17(24)14-9-12(10-19-14)21-18(25)22-7-3-6-15(22)16(23)20-11-13-5-4-8-27-13/h4-5,8-10,15,19H,2-3,6-7,11H2,1H3,(H,20,23)(H,21,25)
InChIKeyDFTSHQQDLOXHEE-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.10
Rot. Bonds6

About ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate

ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate (PubChem CID 71852377) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate
PubChem CID71852377
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Nameethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N2CCCC2C(=O)NCc2ccco2)c[nH]1
InChIInChI=1S/C18H22N4O5/c1-2-26-17(24)14-9-12(10-19-14)21-18(25)22-7-3-6-15(22)16(23)20-11-13-5-4-8-27-13/h4-5,8-10,15,19H,2-3,6-7,11H2,1H3,(H,20,23)(H,21,25)
InChIKeyDFTSHQQDLOXHEE-UHFFFAOYSA-N
XLogP2.10
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468967
(2R)-2-N-(furan-2-ylmethyl)-1-N-(6-methoxy-3-pyridinyl)pyrrolidine-1,2-dicarboxamide
CID 95980236
(2R)-1-N-(2-fluoro-4-methylphenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 95981801
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
(2S)-1-(2,4-dimethylbenzoyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95292121
ethyl (4S)-4-(furan-2-yl)-6-[[(2R)-2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 34455092
ethyl (4S)-4-(furan-2-yl)-6-[[(2S)-2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 34455098
(2R)-N-(furan-2-ylmethyl)-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 95148543
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
(2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 94826679
(2S)-2-N-[(2-methylfuran-3-yl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 95339596
(2S)-N-(furan-2-ylmethyl)-1-[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]pyrrolidine-2-carboxamide
CID 124841135

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate (CID 71852377) is ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate is CCOC(=O)c1cc(NC(=O)N2CCCC2C(=O)NCc2ccco2)c[nH]1.
What is the InChIKey of ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate?
The InChIKey is DFTSHQQDLOXHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-2-26-17(24)14-9-12(10-19-14)21-18(25)22-7-3-6-15(22)16(23)20-11-13-5-4-8-27-13/h4-5,8-10,15,19H,2-3,6-7,11H2,1H3,(H,20,23)(H,21,25).
What are the key properties of ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate?
ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]amino]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 71852377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).