1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea

C21H24N2O5 — CID 124892212

IUPAC1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC[C@@H](OC)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C21H24N2O5/c1-25-17-9-8-14(10-18(17)26-2)12-22-21(24)23-13-20(27-3)19-11-15-6-4-5-7-16(15)28-19/h4-11,20H,12-13H2,1-3H3,(H2,22,23,24)/t20-/m1/s1
InChIKeyOCXGQVRVVPWUFM-HXUWFJFHSA-N
MW384.43 g/mol
LogP3.64
Rot. Bonds8

About 1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea

1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea (PubChem CID 124892212) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
PubChem CID124892212
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC[C@@H](OC)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C21H24N2O5/c1-25-17-9-8-14(10-18(17)26-2)12-22-21(24)23-13-20(27-3)19-11-15-6-4-5-7-16(15)28-19/h4-11,20H,12-13H2,1-3H3,(H2,22,23,24)/t20-/m1/s1
InChIKeyOCXGQVRVVPWUFM-HXUWFJFHSA-N
XLogP3.64
TPSA81.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea with MolForge

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 42934544
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 129357962
N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 119104126
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623658
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 121021294
1-(1-adamantyl)-3-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]urea
CID 124727341
3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66167353
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
CID 129356177
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 72717760
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
The IUPAC name of 1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea (CID 124892212) is 1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NC[C@@H](OC)c2cc3ccccc3o2)cc1OC.
What is the InChIKey of 1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
The InChIKey is OCXGQVRVVPWUFM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-25-17-9-8-14(10-18(17)26-2)12-22-21(24)23-13-20(27-3)19-11-15-6-4-5-7-16(15)28-19/h4-11,20H,12-13H2,1-3H3,(H2,22,23,24)/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea?
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea has a molecular weight of 384.43 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea is sourced from PubChem (CID 124892212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).