1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea

C20H28N2O3 — CID 155949862

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
SMILESO=C(NCCc1ccc2c(c1)CCO2)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C20H28N2O3/c23-19(22-17-7-12-25-20(14-17)8-1-2-9-20)21-10-5-15-3-4-18-16(13-15)6-11-24-18/h3-4,13,17H,1-2,5-12,14H2,(H2,21,22,23)
InChIKeyBKDKEBJXHWFMRL-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.95
Rot. Bonds4

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea (PubChem CID 155949862) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
PubChem CID155949862
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
SMILESO=C(NCCc1ccc2c(c1)CCO2)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C20H28N2O3/c23-19(22-17-7-12-25-20(14-17)8-1-2-9-20)21-10-5-15-3-4-18-16(13-15)6-11-24-18/h3-4,13,17H,1-2,5-12,14H2,(H2,21,22,23)
InChIKeyBKDKEBJXHWFMRL-UHFFFAOYSA-N
XLogP2.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235565
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-[[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
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea
CID 95935146
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
CID 71874160
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea
CID 110775706
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
CID 115162653
1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 71915144
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea (CID 155949862) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea is O=C(NCCc1ccc2c(c1)CCO2)NC1CCOC2(CCCC2)C1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea?
The InChIKey is BKDKEBJXHWFMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19(22-17-7-12-25-20(14-17)8-1-2-9-20)21-10-5-15-3-4-18-16(13-15)6-11-24-18/h3-4,13,17H,1-2,5-12,14H2,(H2,21,22,23).
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea has a molecular weight of 344.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 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-(6-oxaspiro[4.5]decan-9-yl)urea is sourced from PubChem (CID 155949862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).