1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea

C17H20N2O3 — CID 146084416

IUPAC1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea
SMILESCC(O)c1ccc(CNC(=O)NCc2cccc(O)c2)cc1
InChIInChI=1S/C17H20N2O3/c1-12(20)15-7-5-13(6-8-15)10-18-17(22)19-11-14-3-2-4-16(21)9-14/h2-9,12,20-21H,10-11H2,1H3,(H2,18,19,22)
InChIKeyBFTUIGPEMKFNII-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.44
Rot. Bonds5

About 1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea

1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea (PubChem CID 146084416) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea
PubChem CID146084416
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea
SMILESCC(O)c1ccc(CNC(=O)NCc2cccc(O)c2)cc1
InChIInChI=1S/C17H20N2O3/c1-12(20)15-7-5-13(6-8-15)10-18-17(22)19-11-14-3-2-4-16(21)9-14/h2-9,12,20-21H,10-11H2,1H3,(H2,18,19,22)
InChIKeyBFTUIGPEMKFNII-UHFFFAOYSA-N
XLogP2.44
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
CID 47292127
1-butyl-3-[[4-(1-hydroxyethyl)phenyl]methyl]urea
CID 51102905
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333
1-(3-aminopropyl)-3-[(3-hydroxyphenyl)methyl]urea
CID 117235452
N-[(3-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 78962026
N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686889
N-[(3-hydroxyphenyl)methyl]-3,4,4-trimethylpentanamide
CID 63821825
(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride
CID 119297040
1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60602886
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 111111377
1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94197374
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea?
The IUPAC name of 1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea (CID 146084416) is 1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea.
What is the SMILES notation for 1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea?
The canonical SMILES for 1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea is CC(O)c1ccc(CNC(=O)NCc2cccc(O)c2)cc1.
What is the InChIKey of 1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea?
The InChIKey is BFTUIGPEMKFNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(20)15-7-5-13(6-8-15)10-18-17(22)19-11-14-3-2-4-16(21)9-14/h2-9,12,20-21H,10-11H2,1H3,(H2,18,19,22).
What are the key properties of 1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea?
1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 146084416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).