1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide

C18H22N4O3 — CID 47075956

IUPAC1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)NCc2ccco2)c1
InChIInChI=1S/C18H22N4O3/c19-17(23)16-7-2-8-22(16)12-13-4-1-5-14(10-13)21-18(24)20-11-15-6-3-9-25-15/h1,3-6,9-10,16H,2,7-8,11-12H2,(H2,19,23)(H2,20,21,24)
InChIKeyXZBFNTRHLLSQSK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.05
Rot. Bonds6

About 1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide

1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 47075956) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID47075956
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)NCc2ccco2)c1
InChIInChI=1S/C18H22N4O3/c19-17(23)16-7-2-8-22(16)12-13-4-1-5-14(10-13)21-18(24)20-11-15-6-3-9-25-15/h1,3-6,9-10,16H,2,7-8,11-12H2,(H2,19,23)(H2,20,21,24)
InChIKeyXZBFNTRHLLSQSK-UHFFFAOYSA-N
XLogP2.05
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[3-[(5-ethylfuran-2-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52730298
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CID 52507478
1-[[3-[(1-phenylcyclobutanecarbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560169
1-[[3-[[4-(aminomethyl)oxane-4-carbonyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120939593
2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid
CID 65345977
1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937
1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984604
1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560462
(2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 129481757
(2S)-1-[[3-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 51967295
1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119856251
1-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068938

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide (CID 47075956) is 1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1cccc(NC(=O)NCc2ccco2)c1.
What is the InChIKey of 1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is XZBFNTRHLLSQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c19-17(23)16-7-2-8-22(16)12-13-4-1-5-14(10-13)21-18(24)20-11-15-6-3-9-25-15/h1,3-6,9-10,16H,2,7-8,11-12H2,(H2,19,23)(H2,20,21,24).
What are the key properties of 1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 47075956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).