1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea

C19H24N2O4 — CID 100747631

IUPAC1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
SMILESCCOc1ccc(CNC(=O)Nc2ccccc2OC)cc1OCC
InChIInChI=1S/C19H24N2O4/c1-4-24-17-11-10-14(12-18(17)25-5-2)13-20-19(22)21-15-8-6-7-9-16(15)23-3/h6-12H,4-5,13H2,1-3H3,(H2,20,21,22)
InChIKeyVUYFDCXITVWRAJ-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.81
Rot. Bonds8

About 1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea

1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea (PubChem CID 100747631) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
PubChem CID100747631
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
SMILESCCOc1ccc(CNC(=O)Nc2ccccc2OC)cc1OCC
InChIInChI=1S/C19H24N2O4/c1-4-24-17-11-10-14(12-18(17)25-5-2)13-20-19(22)21-15-8-6-7-9-16(15)23-3/h6-12H,4-5,13H2,1-3H3,(H2,20,21,22)
InChIKeyVUYFDCXITVWRAJ-UHFFFAOYSA-N
XLogP3.81
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 52593579
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea
CID 108898949
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 108891607
[2-(2-methoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823067
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 133204349
1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38383800

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea (CID 100747631) is 1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea is CCOc1ccc(CNC(=O)Nc2ccccc2OC)cc1OCC.
What is the InChIKey of 1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea?
The InChIKey is VUYFDCXITVWRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-24-17-11-10-14(12-18(17)25-5-2)13-20-19(22)21-15-8-6-7-9-16(15)23-3/h6-12H,4-5,13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea?
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 344.41 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 100747631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).