3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea

C21H24N2O4 — CID 86986903

IUPAC3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
SMILESCCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24N2O4/c1-5-17-16(15-8-6-7-9-18(15)27-17)13-23(2)21(24)22-14-10-11-19(25-3)20(12-14)26-4/h6-12H,5,13H2,1-4H3,(H,22,24)
InChIKeyCOPLESIUDOBJEE-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.68
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea

3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea (PubChem CID 86986903) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
PubChem CID86986903
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
SMILESCCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24N2O4/c1-5-17-16(15-8-6-7-9-18(15)27-17)13-23(2)21(24)22-14-10-11-19(25-3)20(12-14)26-4/h6-12H,5,13H2,1-4H3,(H,22,24)
InChIKeyCOPLESIUDOBJEE-UHFFFAOYSA-N
XLogP4.68
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
CID 78874537
3-[2-(difluoromethoxy)-5-methoxyphenyl]-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
CID 112828988
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 78893656
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892865
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 112825840
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657
1-[(2,3-dichlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-1-methylurea
CID 55696349
N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 17438326
2-(cyclopropylmethylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylacetamide;hydrochloride
CID 119694665
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
N-[2-methoxy-4-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]phenyl]acetamide
CID 51118769
3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide
CID 55882454

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea (CID 86986903) is 3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea is CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea?
The InChIKey is COPLESIUDOBJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-5-17-16(15-8-6-7-9-18(15)27-17)13-23(2)21(24)22-14-10-11-19(25-3)20(12-14)26-4/h6-12H,5,13H2,1-4H3,(H,22,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea?
3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea has a molecular weight of 368.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea is sourced from PubChem (CID 86986903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).