1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea

C17H24N2O3 — CID 95935146

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea
SMILESO=C(NCCc1ccc2c(c1)CCO2)NC[C@@H]1CCC[C@H]1O
InChIInChI=1S/C17H24N2O3/c20-15-3-1-2-14(15)11-19-17(21)18-8-6-12-4-5-16-13(10-12)7-9-22-16/h4-5,10,14-15,20H,1-3,6-9,11H2,(H2,18,19,21)/t14-,15+/m0/s1
InChIKeyRNQQBLNFQJFESZ-LSDHHAIUSA-N
MW304.39 g/mol
LogP1.62
Rot. Bonds5

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea (PubChem CID 95935146) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea
PubChem CID95935146
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea
SMILESO=C(NCCc1ccc2c(c1)CCO2)NC[C@@H]1CCC[C@H]1O
InChIInChI=1S/C17H24N2O3/c20-15-3-1-2-14(15)11-19-17(21)18-8-6-12-4-5-16-13(10-12)7-9-22-16/h4-5,10,14-15,20H,1-3,6-9,11H2,(H2,18,19,21)/t14-,15+/m0/s1
InChIKeyRNQQBLNFQJFESZ-LSDHHAIUSA-N
XLogP1.62
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea with MolForge

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111335774
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618884
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methyloxolan-3-yl)urea
CID 91646578
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 111334716
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 155949862
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea
CID 86952368
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
CID 115162653
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea
CID 86952371
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea (CID 95935146) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea is O=C(NCCc1ccc2c(c1)CCO2)NC[C@@H]1CCC[C@H]1O.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea?
The InChIKey is RNQQBLNFQJFESZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-15-3-1-2-14(15)11-19-17(21)18-8-6-12-4-5-16-13(10-12)7-9-22-16/h4-5,10,14-15,20H,1-3,6-9,11H2,(H2,18,19,21)/t14-,15+/m0/s1.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea has a molecular weight of 304.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea is sourced from PubChem (CID 95935146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).