1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea

C22H22N2O3 — CID 54400596

IUPAC1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea
SMILESNC(=O)N(CCOc1ccc(-c2ccc(O)cc2)cc1)Cc1ccccc1
InChIInChI=1S/C22H22N2O3/c23-22(26)24(16-17-4-2-1-3-5-17)14-15-27-21-12-8-19(9-13-21)18-6-10-20(25)11-7-18/h1-13,25H,14-16H2,(H2,23,26)
InChIKeyVNDRNLQXXBTGDD-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.02
Rot. Bonds7

About 1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea

1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea (PubChem CID 54400596) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea.

Molecular Properties

Compound Name1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea
PubChem CID54400596
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea
SMILESNC(=O)N(CCOc1ccc(-c2ccc(O)cc2)cc1)Cc1ccccc1
InChIInChI=1S/C22H22N2O3/c23-22(26)24(16-17-4-2-1-3-5-17)14-15-27-21-12-8-19(9-13-21)18-6-10-20(25)11-7-18/h1-13,25H,14-16H2,(H2,23,26)
InChIKeyVNDRNLQXXBTGDD-UHFFFAOYSA-N
XLogP4.02
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]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

1-benzyl-1-[2-[4-(4-butoxyphenyl)phenoxy]ethyl]-3-methylurea
CID 54220876
1-(2-methoxyethyl)-1-(2-phenoxyethyl)urea
CID 173040032
benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate
CID 135223658
benzyl-[2-[4-(2-bromoacetyl)phenoxy]ethyl]carbamic acid
CID 87975326
1-[(3,5-difluorophenyl)methyl]-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]-3-methylurea
CID 54016995
N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
CID 4939619
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide
CID 22660942
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide
CID 54481452
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea?
The IUPAC name of 1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea (CID 54400596) is 1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea.
What is the SMILES notation for 1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea?
The canonical SMILES for 1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea is NC(=O)N(CCOc1ccc(-c2ccc(O)cc2)cc1)Cc1ccccc1.
What is the InChIKey of 1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea?
The InChIKey is VNDRNLQXXBTGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c23-22(26)24(16-17-4-2-1-3-5-17)14-15-27-21-12-8-19(9-13-21)18-6-10-20(25)11-7-18/h1-13,25H,14-16H2,(H2,23,26).
What are the key properties of 1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea?
1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea has a molecular weight of 362.43 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]urea is sourced from PubChem (CID 54400596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).