1-[2-(phenoxymethyl)phenyl]-3-propylurea

C17H20N2O2 — CID 60545912

IUPAC1-[2-(phenoxymethyl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccccc1COc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-12-18-17(20)19-16-11-7-6-8-14(16)13-21-15-9-4-3-5-10-15/h3-11H,2,12-13H2,1H3,(H2,18,19,20)
InChIKeyHQVLURKBZQZPEM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.80
Rot. Bonds6

About 1-[2-(phenoxymethyl)phenyl]-3-propylurea

1-[2-(phenoxymethyl)phenyl]-3-propylurea (PubChem CID 60545912) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(phenoxymethyl)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(phenoxymethyl)phenyl]-3-propylurea
PubChem CID60545912
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[2-(phenoxymethyl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccccc1COc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-12-18-17(20)19-16-11-7-6-8-14(16)13-21-15-9-4-3-5-10-15/h3-11H,2,12-13H2,1H3,(H2,18,19,20)
InChIKeyHQVLURKBZQZPEM-UHFFFAOYSA-N
XLogP3.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea
CID 71865833
1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 111474002
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 111473999
1-(2-phenoxy-3-pyridinyl)-3-propylurea
CID 47041336
1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea
CID 60544437
1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea
CID 126771061
[2-(butylcarbamoylamino)phenyl]methyl acetate
CID 174857263
1-[2-(ethoxymethyl)phenyl]-3-hexylurea
CID 60562677
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea
CID 60543304
1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea
CID 5272992
1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea
CID 86987075
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054

Frequently Asked Questions

What is the IUPAC name of 1-[2-(phenoxymethyl)phenyl]-3-propylurea?
The IUPAC name of 1-[2-(phenoxymethyl)phenyl]-3-propylurea (CID 60545912) is 1-[2-(phenoxymethyl)phenyl]-3-propylurea.
What is the SMILES notation for 1-[2-(phenoxymethyl)phenyl]-3-propylurea?
The canonical SMILES for 1-[2-(phenoxymethyl)phenyl]-3-propylurea is CCCNC(=O)Nc1ccccc1COc1ccccc1.
What is the InChIKey of 1-[2-(phenoxymethyl)phenyl]-3-propylurea?
The InChIKey is HQVLURKBZQZPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-12-18-17(20)19-16-11-7-6-8-14(16)13-21-15-9-4-3-5-10-15/h3-11H,2,12-13H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(phenoxymethyl)phenyl]-3-propylurea?
1-[2-(phenoxymethyl)phenyl]-3-propylurea has a molecular weight of 284.36 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(phenoxymethyl)phenyl]-3-propylurea is sourced from PubChem (CID 60545912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).