3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea

C18H22N2O2 — CID 27533745

IUPAC3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
SMILESCc1ccc(OCCN(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-15-8-10-17(11-9-15)22-13-12-20(2)18(21)19-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,19,21)
InChIKeyWRPAHBDSRRRRJV-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.22
Rot. Bonds6

About 3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea

3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea (PubChem CID 27533745) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
PubChem CID27533745
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
SMILESCc1ccc(OCCN(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-15-8-10-17(11-9-15)22-13-12-20(2)18(21)19-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,19,21)
InChIKeyWRPAHBDSRRRRJV-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[(4-methylphenyl)methyl]-1-(2-phenoxyethyl)urea
CID 27517654
3-benzyl-1-[2-(4-formylphenoxy)ethyl]-1-methylurea
CID 10245009
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[4-(methylsulfonylmethyl)phenyl]methyl]urea
CID 87034684
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429400
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea
CID 86912586
1-methyl-1-(3-phenoxypropyl)-3-(pyridin-4-ylmethyl)urea
CID 86998973
3-[[methyl-[2-(4-phenylmethoxyphenoxy)ethyl]carbamoyl]amino]propanoic acid
CID 122017744
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86914351
3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-(2-phenoxyethyl)urea
CID 27516330
1-methyl-1-(2-phenoxyethyl)-3-(thiophen-2-ylmethyl)urea
CID 134056756

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea?
The IUPAC name of 3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea (CID 27533745) is 3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea.
What is the SMILES notation for 3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea?
The canonical SMILES for 3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea is Cc1ccc(OCCN(C)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea?
The InChIKey is WRPAHBDSRRRRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-15-8-10-17(11-9-15)22-13-12-20(2)18(21)19-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,19,21).
What are the key properties of 3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea?
3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea is sourced from PubChem (CID 27533745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).