1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea

C17H20N2O3 — CID 71865833

IUPAC1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea
SMILESCc1c(COc2ccccc2)cccc1NC(=O)NCCO
InChIInChI=1S/C17H20N2O3/c1-13-14(12-22-15-7-3-2-4-8-15)6-5-9-16(13)19-17(21)18-10-11-20/h2-9,20H,10-12H2,1H3,(H2,18,19,21)
InChIKeyPSNUBVHOBYGEDV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.69
Rot. Bonds6

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

1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea (PubChem CID 71865833) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea
PubChem CID71865833
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea
SMILESCc1c(COc2ccccc2)cccc1NC(=O)NCCO
InChIInChI=1S/C17H20N2O3/c1-13-14(12-22-15-7-3-2-4-8-15)6-5-9-16(13)19-17(21)18-10-11-20/h2-9,20H,10-12H2,1H3,(H2,18,19,21)
InChIKeyPSNUBVHOBYGEDV-UHFFFAOYSA-N
XLogP2.69
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(phenoxymethyl)phenyl]-3-propylurea
CID 60545912
1-(2,3-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47238057
(2S)-2-amino-4-methyl-N-[2-methyl-3-(phenoxymethyl)phenyl]pentanamide;hydrochloride
CID 119810569
2-(cyclopropylmethylamino)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide
CID 119810548
1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108888843
1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 111474002
1-(2-hydroxyethyl)-3-(2-methyl-4-phenylmethoxyphenyl)urea
CID 111424849
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 111473999
2-amino-N-[2-methyl-3-(phenoxymethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120795542
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-3-(phenoxymethyl)phenyl]acetamide;hydrochloride
CID 119810549
(2S,5R)-5-(aminomethyl)-N-[2-methyl-3-(phenoxymethyl)phenyl]oxolane-2-carboxamide
CID 120795540
N-(2-hydroxyethyl)-2-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111112371

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea (CID 71865833) is 1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea is Cc1c(COc2ccccc2)cccc1NC(=O)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea?
The InChIKey is PSNUBVHOBYGEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-14(12-22-15-7-3-2-4-8-15)6-5-9-16(13)19-17(21)18-10-11-20/h2-9,20H,10-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea?
1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea is sourced from PubChem (CID 71865833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).