1-[2-(4-methoxyphenyl)ethyl]-1-methylurea

C11H16N2O2 — CID 115168599

IUPAC1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(CCN(C)C(N)=O)cc1
InChIInChI=1S/C11H16N2O2/c1-13(11(12)14)8-7-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,12,14)
InChIKeyDLEXPTWGRMQUNR-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.25
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]-1-methylurea

1-[2-(4-methoxyphenyl)ethyl]-1-methylurea (PubChem CID 115168599) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
PubChem CID115168599
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(CCN(C)C(N)=O)cc1
InChIInChI=1S/C11H16N2O2/c1-13(11(12)14)8-7-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,12,14)
InChIKeyDLEXPTWGRMQUNR-UHFFFAOYSA-N
XLogP1.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988
1-[2-(4-ethylphenyl)ethyl]-1-methylurea
CID 115168590
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
N-[2-(4-methoxyphenyl)ethyl]-N-methylcyclohexanecarboxamide
CID 110287930
3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 110307110
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
1-[2-(4-ethylsulfanylphenyl)ethyl]-1-methylurea
CID 115168679
2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride
CID 119298042
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 110287984
1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168613

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-1-methylurea (CID 115168599) is 1-[2-(4-methoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-1-methylurea is COc1ccc(CCN(C)C(N)=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-1-methylurea?
The InChIKey is DLEXPTWGRMQUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13(11(12)14)8-7-9-3-5-10(15-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,12,14).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-1-methylurea?
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea has a molecular weight of 208.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 115168599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).