1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea

C18H18N2O6 — CID 6574304

IUPAC1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1
InChIInChI=1S/C18H18N2O6/c1-23-11-6-4-10(5-7-11)19-18(22)20-16-12-8-9-13(24-2)15(25-3)14(12)17(21)26-16/h4-9,16H,1-3H3,(H2,19,20,22)/t16-/m1/s1
InChIKeyDWHWHTGKAZPZJH-MRXNPFEDSA-N
MW358.35 g/mol
LogP2.70
Rot. Bonds5

About 1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea

1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea (PubChem CID 6574304) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea
PubChem CID6574304
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1
InChIInChI=1S/C18H18N2O6/c1-23-11-6-4-10(5-7-11)19-18(22)20-16-12-8-9-13(24-2)15(25-3)14(12)17(21)26-16/h4-9,16H,1-3H3,(H2,19,20,22)/t16-/m1/s1
InChIKeyDWHWHTGKAZPZJH-MRXNPFEDSA-N
XLogP2.70
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea with MolForge

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Related Compounds

3-[[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 25427180
N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide
CID 7657933
3-(4-ethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 2863991
3-(3,4-dimethoxyanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3771406
3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 2849172
(3S)-6,7-dimethoxy-3-[2-(4-methoxyphenyl)ethylamino]-3H-2-benzofuran-1-one
CID 7657834
(3R)-6,7-dimethoxy-3-[2-(4-methoxyphenyl)ethylamino]-3H-2-benzofuran-1-one
CID 7657836
3-(4-ethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3627460
(3R)-3-[4-(diethylamino)anilino]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 7574660
3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3807565
(3R)-3-(3-fluoroanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 914872
(3S)-3-(3-iodoanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 7657817

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea (CID 6574304) is 1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1.
What is the InChIKey of 1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea?
The InChIKey is DWHWHTGKAZPZJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-23-11-6-4-10(5-7-11)19-18(22)20-16-12-8-9-13(24-2)15(25-3)14(12)17(21)26-16/h4-9,16H,1-3H3,(H2,19,20,22)/t16-/m1/s1.
What are the key properties of 1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea?
1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea has a molecular weight of 358.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 6574304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).