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

C14H20N2O2 — CID 110307110

IUPAC3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(CCN(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-16(14(17)15-12-5-6-12)10-9-11-3-7-13(18-2)8-4-11/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyILKPTSAPOFAHOI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.04
Rot. Bonds5

About 3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea

3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea (PubChem CID 110307110) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
PubChem CID110307110
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(CCN(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-16(14(17)15-12-5-6-12)10-9-11-3-7-13(18-2)8-4-11/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyILKPTSAPOFAHOI-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 110287969
N-[2-(4-methoxyphenyl)ethyl]-N-methylcyclohexanecarboxamide
CID 110287930
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
CID 110307112
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988
N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43086123
3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 49137205
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
3-[3-(2,2-dimethylpropyl)cyclobutyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 164979958
3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249
N-[4-(ethylamino)cyclohexyl]-2-(4-methoxyphenyl)acetamide
CID 43653285

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea (CID 110307110) is 3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea is COc1ccc(CCN(C)C(=O)NC2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea?
The InChIKey is ILKPTSAPOFAHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(14(17)15-12-5-6-12)10-9-11-3-7-13(18-2)8-4-11/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,15,17).
What are the key properties of 3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea?
3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea has a molecular weight of 248.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 110307110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).