(3,4-dimethoxyphenyl)urea

C9H12N2O3 — CID 21197430

IUPAC(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(N)=O)cc1OC
InChIInChI=1S/C9H12N2O3/c1-13-7-4-3-6(11-9(10)12)5-8(7)14-2/h3-5H,1-2H3,(H3,10,11,12)
InChIKeySZTJRKJVRLTIDX-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.19
Rot. Bonds3

About (3,4-dimethoxyphenyl)urea

(3,4-dimethoxyphenyl)urea (PubChem CID 21197430) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)urea
PubChem CID21197430
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(N)=O)cc1OC
InChIInChI=1S/C9H12N2O3/c1-13-7-4-3-6(11-9(10)12)5-8(7)14-2/h3-5H,1-2H3,(H3,10,11,12)
InChIKeySZTJRKJVRLTIDX-UHFFFAOYSA-N
XLogP1.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 64684929
1-(3,4-dimethoxyphenyl)-2-methylguanidine
CID 62381082
2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
1-N',2-N'-bis(3,4-dimethoxyphenyl)ethanedihydrazide
CID 138619994
5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 110484954
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)urea?
The IUPAC name of (3,4-dimethoxyphenyl)urea (CID 21197430) is (3,4-dimethoxyphenyl)urea.
What is the SMILES notation for (3,4-dimethoxyphenyl)urea?
The canonical SMILES for (3,4-dimethoxyphenyl)urea is COc1ccc(NC(N)=O)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)urea?
The InChIKey is SZTJRKJVRLTIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-13-7-4-3-6(11-9(10)12)5-8(7)14-2/h3-5H,1-2H3,(H3,10,11,12).
What are the key properties of (3,4-dimethoxyphenyl)urea?
(3,4-dimethoxyphenyl)urea has a molecular weight of 196.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)urea is sourced from PubChem (CID 21197430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).