1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea

C19H25N3O2 — CID 111117127

IUPAC1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea
SMILESCCN(C)c1ccccc1NC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-3-21(2)18-12-8-7-11-17(18)20-19(24)22(13-14-23)15-16-9-5-4-6-10-16/h4-12,23H,3,13-15H2,1-2H3,(H,20,24)
InChIKeyGXDUPROQSQJABM-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.17
Rot. Bonds7

About 1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea

1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea (PubChem CID 111117127) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea
PubChem CID111117127
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea
SMILESCCN(C)c1ccccc1NC(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-3-21(2)18-12-8-7-11-17(18)20-19(24)22(13-14-23)15-16-9-5-4-6-10-16/h4-12,23H,3,13-15H2,1-2H3,(H,20,24)
InChIKeyGXDUPROQSQJABM-UHFFFAOYSA-N
XLogP3.17
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)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

3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424052
1-benzyl-1-(2-hydroxyethyl)-3-(2-propylphenyl)urea
CID 110896766
1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea
CID 111521290
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 111117119
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615873
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
1-benzyl-1-(2-hydroxyethyl)-3-(1,2-oxazol-5-yl)urea
CID 108814077
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
1-benzyl-1-ethyl-3-(2-propan-2-ylphenyl)urea
CID 108989019
1-benzyl-3-phenyl-1-propylurea
CID 78786424

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea (CID 111117127) is 1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea is CCN(C)c1ccccc1NC(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea?
The InChIKey is GXDUPROQSQJABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-21(2)18-12-8-7-11-17(18)20-19(24)22(13-14-23)15-16-9-5-4-6-10-16/h4-12,23H,3,13-15H2,1-2H3,(H,20,24).
What are the key properties of 1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea?
1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea has a molecular weight of 327.43 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111117127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).