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

C19H20N2O3 — CID 10925379

IUPAC1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea
SMILESCNC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C19H20N2O3/c1-20-19(22)21-11-10-15-16-12-14(23-2)8-9-17(16)24-18(15)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,20,21,22)
InChIKeySLGNYFFUQQDDSO-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.58
Rot. Bonds5

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

1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea (PubChem CID 10925379) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea
PubChem CID10925379
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea
SMILESCNC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12
InChIInChI=1S/C19H20N2O3/c1-20-19(22)21-11-10-15-16-12-14(23-2)8-9-17(16)24-18(15)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,20,21,22)
InChIKeySLGNYFFUQQDDSO-UHFFFAOYSA-N
XLogP3.58
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10882307
N-[2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethyl]but-3-enamide
CID 10926138
5-methoxy-2-phenyl-3-[(E)-3-phenylprop-2-enyl]-1-benzofuran
CID 132574413
N-[2-[2-(furan-2-ylmethyl)-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide
CID 22131201
1-[2-(7-methoxy-2-thiophen-2-ylnaphthalen-1-yl)ethyl]-3-methylurea
CID 139810713
2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
CID 10316448
1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one
CID 101462392
5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid
CID 155486622
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
3-chloro-8-methoxy-2-phenylfuro[3,2-c]chromen-4-one
CID 102407236

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea (CID 10925379) is 1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea is CNC(=O)NCCc1c(-c2ccccc2)oc2ccc(OC)cc12.
What is the InChIKey of 1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea?
The InChIKey is SLGNYFFUQQDDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-20-19(22)21-11-10-15-16-12-14(23-2)8-9-17(16)24-18(15)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea?
1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea has a molecular weight of 324.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea is sourced from PubChem (CID 10925379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).