1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea

C18H22N2O3 — CID 110911298

IUPAC1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NCc1ccccc1CO
InChIInChI=1S/C18H22N2O3/c1-2-11-23-17-10-6-5-9-16(17)20-18(22)19-12-14-7-3-4-8-15(14)13-21/h3-10,21H,2,11-13H2,1H3,(H2,19,20,22)
InChIKeyFHSLTZJDFFFFOY-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.29
Rot. Bonds7

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

1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea (PubChem CID 110911298) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea
PubChem CID110911298
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea
SMILESCCCOc1ccccc1NC(=O)NCc1ccccc1CO
InChIInChI=1S/C18H22N2O3/c1-2-11-23-17-10-6-5-9-16(17)20-18(22)19-12-14-7-3-4-8-15(14)13-21/h3-10,21H,2,11-13H2,1H3,(H2,19,20,22)
InChIKeyFHSLTZJDFFFFOY-UHFFFAOYSA-N
XLogP3.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539
1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
CID 110890857
1-[(2,5-dimethoxyphenyl)methyl]-3-(2-propoxyphenyl)urea
CID 47032719
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
1,3-bis(2-butoxyphenyl)urea
CID 17170447
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
1-(4-hydroxy-2-methylpentyl)-3-(2-propoxyphenyl)urea
CID 111452855
2-amino-N-(2-propoxyphenyl)pentanamide
CID 43702443
4-[(propan-2-ylcarbamoylamino)methyl]-N-(2-propoxyphenyl)benzamide
CID 30236258
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111435144

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea?
The IUPAC name of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea (CID 110911298) is 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea.
What is the SMILES notation for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea?
The canonical SMILES for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea is CCCOc1ccccc1NC(=O)NCc1ccccc1CO.
What is the InChIKey of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea?
The InChIKey is FHSLTZJDFFFFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-11-23-17-10-6-5-9-16(17)20-18(22)19-12-14-7-3-4-8-15(14)13-21/h3-10,21H,2,11-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea?
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea has a molecular weight of 314.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propoxyphenyl)urea is sourced from PubChem (CID 110911298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).