1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea

C20H21N3O3 — CID 154837816

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(NCC1COc2ccccc21)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C20H21N3O3/c24-19-10-5-11-23(19)17-8-3-2-7-16(17)22-20(25)21-12-14-13-26-18-9-4-1-6-15(14)18/h1-4,6-9,14H,5,10-13H2,(H2,21,22,25)
InChIKeyMEGZGZQMQSBBSA-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.11
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 154837816) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID154837816
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(NCC1COc2ccccc21)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C20H21N3O3/c24-19-10-5-11-23(19)17-8-3-2-7-16(17)22-20(25)21-12-14-13-26-18-9-4-1-6-15(14)18/h1-4,6-9,14H,5,10-13H2,(H2,21,22,25)
InChIKeyMEGZGZQMQSBBSA-UHFFFAOYSA-N
XLogP3.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea with MolForge

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Related Compounds

1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750914
1-[3-(N-methylanilino)propyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55698993
1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea
CID 129487326
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750917
(2R)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51465606
2-cyclopentyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51228887
(3R)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]oxolane-3-carboxamide
CID 95272394
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 38170145
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 18166634
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 154837816) is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea is O=C(NCC1COc2ccccc21)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is MEGZGZQMQSBBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19-10-5-11-23(19)17-8-3-2-7-16(17)22-20(25)21-12-14-13-26-18-9-4-1-6-15(14)18/h1-4,6-9,14H,5,10-13H2,(H2,21,22,25).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 351.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 154837816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).