1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea

C12H18N2O3 — CID 3052717

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(CCN(C)C(N)=O)cc1OC
InChIInChI=1S/C12H18N2O3/c1-14(12(13)15)7-6-9-4-5-10(16-2)11(8-9)17-3/h4-5,8H,6-7H2,1-3H3,(H2,13,15)
InChIKeyNITIOFGMKQKEJO-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.26
Rot. Bonds5

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea

1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea (PubChem CID 3052717) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
PubChem CID3052717
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(CCN(C)C(N)=O)cc1OC
InChIInChI=1S/C12H18N2O3/c1-14(12(13)15)7-6-9-4-5-10(16-2)11(8-9)17-3/h4-5,8H,6-7H2,1-3H3,(H2,13,15)
InChIKeyNITIOFGMKQKEJO-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

Homoveratrylamine
CID 8421
4-((3-Butoxy-4-methoxyphenyl)methyl)-2-imidazolidinone
CID 5087
Rubemamine
CID 1042026
N-Methylhomoveratrylamine
CID 77039
N-Acetyl-3,4-dimethoxyphenethylamine
CID 80465
(+-)-3,4-Dimethoxyamphetamine
CID 8423
(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one
CID 6603746
Homoveratrylamine hydrochloride
CID 71555
3,4-dimethoxy-N-methylphenethylamine hydrochloride
CID 197910
3-(3,4-Dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-2-propenamide
CID 1042025
5-((3-(Cyclopentyloxy)-4-methoxyphenyl)methyl)-4,5-dihydro-1H-imidazol-2-ol
CID 3058801
Diphenethylamine, N-methyl-3,3',4,4'-tetramethoxy-, monohydrochloride
CID 6917841

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea (CID 3052717) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea is COc1ccc(CCN(C)C(N)=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea?
The InChIKey is NITIOFGMKQKEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(12(13)15)7-6-9-4-5-10(16-2)11(8-9)17-3/h4-5,8H,6-7H2,1-3H3,(H2,13,15).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea?
1-[2-(3,4-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-(3,4-dimethoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 3052717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).