1-methyl-3-[2-(2-phenylethoxy)phenyl]urea

C16H18N2O2 — CID 47033729

IUPAC1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
SMILESCNC(=O)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-17-16(19)18-14-9-5-6-10-15(14)20-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKeyJZGBVZCLVHMHQC-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.06
Rot. Bonds5

About 1-methyl-3-[2-(2-phenylethoxy)phenyl]urea

1-methyl-3-[2-(2-phenylethoxy)phenyl]urea (PubChem CID 47033729) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-phenylethoxy)phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
PubChem CID47033729
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
SMILESCNC(=O)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-17-16(19)18-14-9-5-6-10-15(14)20-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKeyJZGBVZCLVHMHQC-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea
CID 118591807
N-[2-[2-(methylcarbamoylamino)phenoxy]ethyl]acetamide
CID 118591797
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
1-(2-hydroxyethyl)-1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 111431297
1,3-bis(2-butoxyphenyl)urea
CID 17170447
2-(2-formylphenoxy)-N-[2-(2-phenylethoxy)phenyl]acetamide
CID 60513932
N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55675133
2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
CID 51122601
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea
CID 167908247
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-phenylethoxy)phenyl]urea?
The IUPAC name of 1-methyl-3-[2-(2-phenylethoxy)phenyl]urea (CID 47033729) is 1-methyl-3-[2-(2-phenylethoxy)phenyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(2-phenylethoxy)phenyl]urea?
The canonical SMILES for 1-methyl-3-[2-(2-phenylethoxy)phenyl]urea is CNC(=O)Nc1ccccc1OCCc1ccccc1.
What is the InChIKey of 1-methyl-3-[2-(2-phenylethoxy)phenyl]urea?
The InChIKey is JZGBVZCLVHMHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17-16(19)18-14-9-5-6-10-15(14)20-12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-methyl-3-[2-(2-phenylethoxy)phenyl]urea?
1-methyl-3-[2-(2-phenylethoxy)phenyl]urea has a molecular weight of 270.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-phenylethoxy)phenyl]urea is sourced from PubChem (CID 47033729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).