1-[2-(2-aminoethoxy)ethyl]-3-benzylurea

C12H19N3O2 — CID 107654533

IUPAC1-[2-(2-aminoethoxy)ethyl]-3-benzylurea
SMILESNCCOCCNC(=O)NCc1ccccc1
InChIInChI=1S/C12H19N3O2/c13-6-8-17-9-7-14-12(16)15-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H2,14,15,16)
InChIKeyAGJPBNLGGBTFCX-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.46
Rot. Bonds7

About 1-[2-(2-aminoethoxy)ethyl]-3-benzylurea

1-[2-(2-aminoethoxy)ethyl]-3-benzylurea (PubChem CID 107654533) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]-3-benzylurea.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]-3-benzylurea
PubChem CID107654533
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[2-(2-aminoethoxy)ethyl]-3-benzylurea
SMILESNCCOCCNC(=O)NCc1ccccc1
InChIInChI=1S/C12H19N3O2/c13-6-8-17-9-7-14-12(16)15-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H2,14,15,16)
InChIKeyAGJPBNLGGBTFCX-UHFFFAOYSA-N
XLogP0.46
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(2-aminoethoxy)ethyl]-3-benzylurea 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

benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
1-benzyl-3-(3-hydroxypropyl)urea
CID 11298735
1-benzyl-3-(2-methoxyethoxy)urea
CID 110642709
5-(benzylcarbamoylamino)pentanamide
CID 106235188
1-(3-amino-4-methoxybutyl)-3-benzylurea
CID 106243722
1-benzyl-3-[2-(methylamino)ethyl]urea;hydrochloride
CID 155817741
3-(benzylcarbamoylamino)propyl dihydrogen phosphate
CID 153200062
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[4-[[4,6-bis(benzylamino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 23956545
1-benzyl-3-(5-hydroxypentyl)urea
CID 108871315
1-benzyl-3-but-3-ynylurea
CID 56765727
1-benzyl-3-(2-phenoxyethoxy)urea
CID 110354986

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-3-benzylurea?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-3-benzylurea (CID 107654533) is 1-[2-(2-aminoethoxy)ethyl]-3-benzylurea.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]-3-benzylurea?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]-3-benzylurea is NCCOCCNC(=O)NCc1ccccc1.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]-3-benzylurea?
The InChIKey is AGJPBNLGGBTFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-6-8-17-9-7-14-12(16)15-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2,(H2,14,15,16).
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]-3-benzylurea?
1-[2-(2-aminoethoxy)ethyl]-3-benzylurea has a molecular weight of 237.30 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]-3-benzylurea is sourced from PubChem (CID 107654533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).