1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea

C13H20N2O4 — CID 110422993

IUPAC1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea
SMILESCOCCNC(=O)N(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20N2O4/c1-15(13(16)14-7-8-17-2)10-5-6-11(18-3)12(9-10)19-4/h5-6,9H,7-8H2,1-4H3,(H,14,16)
InChIKeyWVZPOFMAZDDZOH-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.50
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea

1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea (PubChem CID 110422993) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea
PubChem CID110422993
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea
SMILESCOCCNC(=O)N(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20N2O4/c1-15(13(16)14-7-8-17-2)10-5-6-11(18-3)12(9-10)19-4/h5-6,9H,7-8H2,1-4H3,(H,14,16)
InChIKeyWVZPOFMAZDDZOH-UHFFFAOYSA-N
XLogP1.50
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 113174824
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea
CID 3059255
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
CID 86744650
N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide
CID 110667730
tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576972
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
CID 48559736
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxyethyl)acetamide
CID 2261079

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea (CID 110422993) is 1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea is COCCNC(=O)N(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea?
The InChIKey is WVZPOFMAZDDZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-15(13(16)14-7-8-17-2)10-5-6-11(18-3)12(9-10)19-4/h5-6,9H,7-8H2,1-4H3,(H,14,16).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea?
1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea has a molecular weight of 268.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea is sourced from PubChem (CID 110422993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).