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

C18H18N2O3 — CID 97016982

IUPAC1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1Cc2ccccc2O1)N[C@H]1COc2ccccc21
InChIInChI=1S/C18H18N2O3/c21-18(20-15-11-22-17-8-4-2-6-14(15)17)19-10-13-9-12-5-1-3-7-16(12)23-13/h1-8,13,15H,9-11H2,(H2,19,20,21)/t13-,15-/m0/s1
InChIKeyQXJDTNODOYVFOH-ZFWWWQNUSA-N
MW310.35 g/mol
LogP2.42
Rot. Bonds3

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

1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea (PubChem CID 97016982) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea
PubChem CID97016982
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea
SMILESO=C(NC[C@@H]1Cc2ccccc2O1)N[C@H]1COc2ccccc21
InChIInChI=1S/C18H18N2O3/c21-18(20-15-11-22-17-8-4-2-6-14(15)17)19-10-13-9-12-5-1-3-7-16(12)23-13/h1-8,13,15H,9-11H2,(H2,19,20,21)/t13-,15-/m0/s1
InChIKeyQXJDTNODOYVFOH-ZFWWWQNUSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94058385
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
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4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 76937693
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104043
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 128935579
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
(2S)-4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107839616
4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107839615
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392
1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea
CID 71882103
(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107827468
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 51114097

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea?
The IUPAC name of 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea (CID 97016982) is 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea.
What is the SMILES notation for 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea?
The canonical SMILES for 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea is O=C(NC[C@@H]1Cc2ccccc2O1)N[C@H]1COc2ccccc21.
What is the InChIKey of 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea?
The InChIKey is QXJDTNODOYVFOH-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-18(20-15-11-22-17-8-4-2-6-14(15)17)19-10-13-9-12-5-1-3-7-16(12)23-13/h1-8,13,15H,9-11H2,(H2,19,20,21)/t13-,15-/m0/s1.
What are the key properties of 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea?
1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea has a molecular weight of 310.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea is sourced from PubChem (CID 97016982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).