1-methyl-3-(3,4,5-trimethoxyphenyl)urea

C11H16N2O4 — CID 17171369

IUPAC1-methyl-3-(3,4,5-trimethoxyphenyl)urea
SMILESCNC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C11H16N2O4/c1-12-11(14)13-7-5-8(15-2)10(17-4)9(6-7)16-3/h5-6H,1-4H3,(H2,12,13,14)
InChIKeyRKYCCIPQQIUCBK-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.46
Rot. Bonds4

About 1-methyl-3-(3,4,5-trimethoxyphenyl)urea

1-methyl-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 17171369) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-methyl-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-methyl-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID17171369
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-methyl-3-(3,4,5-trimethoxyphenyl)urea
SMILESCNC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C11H16N2O4/c1-12-11(14)13-7-5-8(15-2)10(17-4)9(6-7)16-3/h5-6H,1-4H3,(H2,12,13,14)
InChIKeyRKYCCIPQQIUCBK-UHFFFAOYSA-N
XLogP1.46
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide
CID 121012209
2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 79346258
1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 65464390
2,3-dibromo-N-[(3,4,5-trimethoxyphenyl)carbamoyl]butanamide
CID 21423279
1-(3-methylbutyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 51712129
1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
CID 51290149
1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866635
2,2,3,3-tetrafluoro-N-(3,4,5-trimethoxyphenyl)propanamide
CID 103732227
(3,4,5-trimethoxyphenyl)thiourea
CID 2760811
1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866651
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-methyl-3-(3,4,5-trimethoxyphenyl)urea (CID 17171369) is 1-methyl-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-methyl-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-methyl-3-(3,4,5-trimethoxyphenyl)urea is CNC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-methyl-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is RKYCCIPQQIUCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-12-11(14)13-7-5-8(15-2)10(17-4)9(6-7)16-3/h5-6H,1-4H3,(H2,12,13,14).
What are the key properties of 1-methyl-3-(3,4,5-trimethoxyphenyl)urea?
1-methyl-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 240.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 17171369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).