1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea

C17H18N2O4 — CID 110866492

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1OC
InChIInChI=1S/C17H18N2O4/c1-21-15-6-4-13(10-16(15)22-2)19-17(20)18-12-3-5-14-11(9-12)7-8-23-14/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20)
InChIKeyQHUIBKDICKXDIZ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.28
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea

1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea (PubChem CID 110866492) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
PubChem CID110866492
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1OC
InChIInChI=1S/C17H18N2O4/c1-21-15-6-4-13(10-16(15)22-2)19-17(20)18-12-3-5-14-11(9-12)7-8-23-14/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20)
InChIKeyQHUIBKDICKXDIZ-UHFFFAOYSA-N
XLogP3.28
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
CID 71040220
1-(3-bromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866595
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
[4-(2,3-dihydro-1-benzofuran-5-ylcarbamoylamino)phenyl] sulfamate
CID 70694605
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-fluorophenyl)urea
CID 110866388
(E)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 30839842
1-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)urea
CID 23764462
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 122131901
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969
3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide
CID 38557928

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea (CID 110866492) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc3c(c2)CCO3)cc1OC.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea?
The InChIKey is QHUIBKDICKXDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-21-15-6-4-13(10-16(15)22-2)19-17(20)18-12-3-5-14-11(9-12)7-8-23-14/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea has a molecular weight of 314.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea is sourced from PubChem (CID 110866492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).