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

C20H22N2O3 — CID 134040576

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CNC(=O)N(C)C(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H22N2O3/c1-14(19-12-16-6-4-5-7-18(16)25-19)22(2)20(23)21-13-15-8-10-17(24-3)11-9-15/h4-12,14H,13H2,1-3H3,(H,21,23)
InChIKeyPVJRXZBQPSOJDK-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.34
Rot. Bonds5

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

1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea (PubChem CID 134040576) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
PubChem CID134040576
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1ccc(CNC(=O)N(C)C(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H22N2O3/c1-14(19-12-16-6-4-5-7-18(16)25-19)22(2)20(23)21-13-15-8-10-17(24-3)11-9-15/h4-12,14H,13H2,1-3H3,(H,21,23)
InChIKeyPVJRXZBQPSOJDK-UHFFFAOYSA-N
XLogP4.34
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87016044
N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51934936
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193774
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 55930468
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
CID 46550865
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 87015123
N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 46551193

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea (CID 134040576) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea is COc1ccc(CNC(=O)N(C)C(C)c2cc3ccccc3o2)cc1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is PVJRXZBQPSOJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(19-12-16-6-4-5-7-18(16)25-19)22(2)20(23)21-13-15-8-10-17(24-3)11-9-15/h4-12,14H,13H2,1-3H3,(H,21,23).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 338.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 134040576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).