1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea

C20H22N2O3 — CID 10882307

IUPAC1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea
SMILESCNC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C20H22N2O3/c1-21-20(23)22-11-10-16-17-13-15(24-2)8-9-18(17)25-19(16)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H2,21,22,23)
InChIKeyPKNOILZDEOADOM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.50
Rot. Bonds6

About 1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea

1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea (PubChem CID 10882307) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea
PubChem CID10882307
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea
SMILESCNC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C20H22N2O3/c1-21-20(23)22-11-10-16-17-13-15(24-2)8-9-18(17)25-19(16)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H2,21,22,23)
InChIKeyPKNOILZDEOADOM-UHFFFAOYSA-N
XLogP3.50
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide
CID 10926138
1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10925379
2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
CID 11023552
N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide
CID 22131201
2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
CID 11121585
N-[2-(2-benzyl-5-ethyl-1-benzofuran-3-yl)ethyl]ethanethioamide
CID 22131190
[3-(2-acetamidoethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran-5-yl] trifluoromethanesulfonate
CID 18360722
2-[5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethylazanium chloride
CID 11759809
1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea
CID 139810713
5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran
CID 154708443
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8852194

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea (CID 10882307) is 1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea is CNC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12.
What is the InChIKey of 1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea?
The InChIKey is PKNOILZDEOADOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-21-20(23)22-11-10-16-17-13-15(24-2)8-9-18(17)25-19(16)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea?
1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea has a molecular weight of 338.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea is sourced from PubChem (CID 10882307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).