1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride

C15H24ClN3O2 — CID 146064929

IUPAC1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride
SMILESCl.NCCN(C(=O)NCc1ccccc1)C1CCOCC1
InChIInChI=1S/C15H23N3O2.ClH/c16-8-9-18(14-6-10-20-11-7-14)15(19)17-12-13-4-2-1-3-5-13;/h1-5,14H,6-12,16H2,(H,17,19);1H
InChIKeyRYCKGWMNASJYRC-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.76
Rot. Bonds5

About 1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride

1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride (PubChem CID 146064929) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride
PubChem CID146064929
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride
SMILESCl.NCCN(C(=O)NCc1ccccc1)C1CCOCC1
InChIInChI=1S/C15H23N3O2.ClH/c16-8-9-18(14-6-10-20-11-7-14)15(19)17-12-13-4-2-1-3-5-13;/h1-5,14H,6-12,16H2,(H,17,19);1H
InChIKeyRYCKGWMNASJYRC-UHFFFAOYSA-N
XLogP1.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride 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-benzyl-1-methyl-1-(oxan-4-yl)urea
CID 103717227
1-(3-amino-3-sulfanylidenepropyl)-3-benzyl-1-cyclopropylurea
CID 107653524
3-[(4-chlorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-1-(oxan-4-yl)urea
CID 90607460
N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 63937836
N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
CID 108871331
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 73167821
3-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]benzoic acid
CID 61202979
3-benzyl-1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)urea
CID 108871318
1-(4-aminocyclohexyl)-3-benzyl-1-methylurea
CID 107652884
1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
CID 42723915
3-benzyl-1-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)urea
CID 111383072

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride (CID 146064929) is 1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride is Cl.NCCN(C(=O)NCc1ccccc1)C1CCOCC1.
What is the InChIKey of 1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride?
The InChIKey is RYCKGWMNASJYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c16-8-9-18(14-6-10-20-11-7-14)15(19)17-12-13-4-2-1-3-5-13;/h1-5,14H,6-12,16H2,(H,17,19);1H.
What are the key properties of 1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride?
1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride is sourced from PubChem (CID 146064929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).