1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea

C19H24N2O4 — CID 97225246

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
SMILESC[C@@H](C[C@@H](O)c1ccco1)NC(=O)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C19H24N2O4/c1-13(11-16(22)18-3-2-9-24-18)21-19(23)20-8-6-14-4-5-17-15(12-14)7-10-25-17/h2-5,9,12-13,16,22H,6-8,10-11H2,1H3,(H2,20,21,23)/t13-,16+/m0/s1
InChIKeyHZYZBHOTMRYTMX-XJKSGUPXSA-N
MW344.41 g/mol
LogP2.57
Rot. Bonds7

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea (PubChem CID 97225246) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
PubChem CID97225246
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
SMILESC[C@@H](C[C@@H](O)c1ccco1)NC(=O)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C19H24N2O4/c1-13(11-16(22)18-3-2-9-24-18)21-19(23)20-8-6-14-4-5-17-15(12-14)7-10-25-17/h2-5,9,12-13,16,22H,6-8,10-11H2,1H3,(H2,20,21,23)/t13-,16+/m0/s1
InChIKeyHZYZBHOTMRYTMX-XJKSGUPXSA-N
XLogP2.57
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 86952245
1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 75379938
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
1-butan-2-yl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 47216305
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol
CID 113376192
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea
CID 119043715
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
CID 124864179
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186712
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea (CID 97225246) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea is C[C@@H](C[C@@H](O)c1ccco1)NC(=O)NCCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
The InChIKey is HZYZBHOTMRYTMX-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13(11-16(22)18-3-2-9-24-18)21-19(23)20-8-6-14-4-5-17-15(12-14)7-10-25-17/h2-5,9,12-13,16,22H,6-8,10-11H2,1H3,(H2,20,21,23)/t13-,16+/m0/s1.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea has a molecular weight of 344.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea is sourced from PubChem (CID 97225246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).