1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea

C12H18N2O3 — CID 3052715

IUPAC1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea
SMILESCOc1cccc(CCN(C)C(N)=O)c1OC
InChIInChI=1S/C12H18N2O3/c1-14(12(13)15)8-7-9-5-4-6-10(16-2)11(9)17-3/h4-6H,7-8H2,1-3H3,(H2,13,15)
InChIKeyDOMBOKURWOUXLS-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.26
Rot. Bonds5

About 1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea

1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea (PubChem CID 3052715) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea
PubChem CID3052715
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea
SMILESCOc1cccc(CCN(C)C(N)=O)c1OC
InChIInChI=1S/C12H18N2O3/c1-14(12(13)15)8-7-9-5-4-6-10(16-2)11(9)17-3/h4-6H,7-8H2,1-3H3,(H2,13,15)
InChIKeyDOMBOKURWOUXLS-UHFFFAOYSA-N
XLogP1.26
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168734
1-methyl-1-[2-(2-methylphenyl)ethyl]urea
CID 115168706
1-amino-4-(2,3-dimethoxyphenyl)butan-2-one;hydrochloride
CID 67393300
2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168702
2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate
CID 79346244
4-(2,3-dimethoxyphenyl)butanoic acid;hydrochloride
CID 139764480
2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55563336
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
3-(2,3-dimethoxyphenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9481076

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea (CID 3052715) is 1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea is COc1cccc(CCN(C)C(N)=O)c1OC.
What is the InChIKey of 1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea?
The InChIKey is DOMBOKURWOUXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(12(13)15)8-7-9-5-4-6-10(16-2)11(9)17-3/h4-6H,7-8H2,1-3H3,(H2,13,15).
What are the key properties of 1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea?
1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea has a molecular weight of 238.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 3052715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).