1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea

C19H22N2O3 — CID 99839643

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea
SMILESCCO[C@H](CNC(=O)Nc1ccc2c(c1)COC2)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-2-24-18(14-6-4-3-5-7-14)11-20-19(22)21-17-9-8-15-12-23-13-16(15)10-17/h3-10,18H,2,11-13H2,1H3,(H2,20,21,22)/t18-/m1/s1
InChIKeyKOBJAIAWFQPTMV-GOSISDBHSA-N
MW326.40 g/mol
LogP3.62
Rot. Bonds6

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea

1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea (PubChem CID 99839643) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea
PubChem CID99839643
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea
SMILESCCO[C@H](CNC(=O)Nc1ccc2c(c1)COC2)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-2-24-18(14-6-4-3-5-7-14)11-20-19(22)21-17-9-8-15-12-23-13-16(15)10-17/h3-10,18H,2,11-13H2,1H3,(H2,20,21,22)/t18-/m1/s1
InChIKeyKOBJAIAWFQPTMV-GOSISDBHSA-N
XLogP3.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea
CID 99840154
1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea
CID 118767148
3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid
CID 122012065
1-(2-methoxy-2-phenylethyl)-3-(4-propylphenyl)urea
CID 112824956
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(6,6-dimethoxy-2,2-dimethylhexyl)urea
CID 100767604
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea
CID 99836325
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]urea
CID 72852947
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452821
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47021762
1-(1,3-dihydro-2-benzofuran-5-yl)-2-phenylbutan-1-one
CID 63021260

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea (CID 99839643) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea is CCO[C@H](CNC(=O)Nc1ccc2c(c1)COC2)c1ccccc1.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea?
The InChIKey is KOBJAIAWFQPTMV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-24-18(14-6-4-3-5-7-14)11-20-19(22)21-17-9-8-15-12-23-13-16(15)10-17/h3-10,18H,2,11-13H2,1H3,(H2,20,21,22)/t18-/m1/s1.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea has a molecular weight of 326.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-2-ethoxy-2-phenylethyl]urea is sourced from PubChem (CID 99839643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).