1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea

C19H24N2O3 — CID 111474002

IUPAC1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea
SMILESCC(CCO)CNC(=O)Nc1ccccc1COc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-15(11-12-22)13-20-19(23)21-18-10-6-5-7-16(18)14-24-17-8-3-2-4-9-17/h2-10,15,22H,11-14H2,1H3,(H2,20,21,23)
InChIKeyYJWNUYPLZUZDIA-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.41
Rot. Bonds8

About 1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea

1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea (PubChem CID 111474002) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea
PubChem CID111474002
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea
SMILESCC(CCO)CNC(=O)Nc1ccccc1COc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-15(11-12-22)13-20-19(23)21-18-10-6-5-7-16(18)14-24-17-8-3-2-4-9-17/h2-10,15,22H,11-14H2,1H3,(H2,20,21,23)
InChIKeyYJWNUYPLZUZDIA-UHFFFAOYSA-N
XLogP3.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(phenoxymethyl)phenyl]-3-propylurea
CID 60545912
1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111472557
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 111473999
1-(4-hydroxy-2-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 66106705
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(phenoxymethyl)phenyl]urea
CID 60543304
1-(2-hydroxyethyl)-3-[2-methyl-3-(phenoxymethyl)phenyl]urea
CID 71865833
1-(4-hydroxy-2-methylbutyl)-3-(4-phenylphenyl)urea
CID 111472820
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
4-methyl-5-[(2-propylphenyl)carbamoylamino]pentanoic acid
CID 82014748
1-(3-chloro-2-fluorophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473329
1-[(4-fluorophenyl)methyl]-3-[2-(phenoxymethyl)phenyl]urea
CID 60544437
1-(4-hydroxy-2-methylbutyl)-3-[4-(3-methylbutoxy)phenyl]urea
CID 111521334

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea?
The IUPAC name of 1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea (CID 111474002) is 1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea?
The canonical SMILES for 1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea is CC(CCO)CNC(=O)Nc1ccccc1COc1ccccc1.
What is the InChIKey of 1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea?
The InChIKey is YJWNUYPLZUZDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15(11-12-22)13-20-19(23)21-18-10-6-5-7-16(18)14-24-17-8-3-2-4-9-17/h2-10,15,22H,11-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea?
1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea has a molecular weight of 328.41 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylbutyl)-3-[2-(phenoxymethyl)phenyl]urea is sourced from PubChem (CID 111474002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).