1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea

C21H26N2O2 — CID 86952245

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
SMILESCC(CCc1ccccc1)NC(=O)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C21H26N2O2/c1-16(7-8-17-5-3-2-4-6-17)23-21(24)22-13-11-18-9-10-20-19(15-18)12-14-25-20/h2-6,9-10,15-16H,7-8,11-14H2,1H3,(H2,22,23,24)
InChIKeyHYPFKCVOYBQEAG-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.48
Rot. Bonds7

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea (PubChem CID 86952245) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
PubChem CID86952245
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
SMILESCC(CCc1ccccc1)NC(=O)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C21H26N2O2/c1-16(7-8-17-5-3-2-4-6-17)23-21(24)22-13-11-18-9-10-20-19(15-18)12-14-25-20/h2-6,9-10,15-16H,7-8,11-14H2,1H3,(H2,22,23,24)
InChIKeyHYPFKCVOYBQEAG-UHFFFAOYSA-N
XLogP3.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225246
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-methylbutanoic acid
CID 115220891
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
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111563468
1-butan-2-yl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 47216305
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618884
1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea
CID 86952368
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110792403

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea (CID 86952245) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea is CC(CCc1ccccc1)NC(=O)NCCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea?
The InChIKey is HYPFKCVOYBQEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(7-8-17-5-3-2-4-6-17)23-21(24)22-13-11-18-9-10-20-19(15-18)12-14-25-20/h2-6,9-10,15-16H,7-8,11-14H2,1H3,(H2,22,23,24).
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea has a molecular weight of 338.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea is sourced from PubChem (CID 86952245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).