1-ethyl-3-[2-(propylamino)ethyl]urea

C8H19N3O — CID 62664925

IUPAC1-ethyl-3-[2-(propylamino)ethyl]urea
SMILESCCCNCCNC(=O)NCC
InChIInChI=1S/C8H19N3O/c1-3-5-9-6-7-11-8(12)10-4-2/h9H,3-7H2,1-2H3,(H2,10,11,12)
InChIKeyVTXVJRSFSOYEIW-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.31
Rot. Bonds6

About 1-ethyl-3-[2-(propylamino)ethyl]urea

1-ethyl-3-[2-(propylamino)ethyl]urea (PubChem CID 62664925) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-ethyl-3-[2-(propylamino)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(propylamino)ethyl]urea
PubChem CID62664925
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-ethyl-3-[2-(propylamino)ethyl]urea
SMILESCCCNCCNC(=O)NCC
InChIInChI=1S/C8H19N3O/c1-3-5-9-6-7-11-8(12)10-4-2/h9H,3-7H2,1-2H3,(H2,10,11,12)
InChIKeyVTXVJRSFSOYEIW-UHFFFAOYSA-N
XLogP0.31
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[2-(propylamino)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-[3-(butylamino)propyl]-3-ethylurea
CID 22381484
1,3-diethylurea;ethane
CID 142885504
1-ethyl-3-[3-[7-[3-(ethylcarbamoylamino)propylamino]heptylamino]propyl]urea;methane
CID 162179209
1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
CID 131888361
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
CID 22381487
2-methyl-N-[2-(propylamino)ethyl]butanamide
CID 62658824
1,3-bis(ethylcarbamoyl)urea
CID 134915369
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide
CID 62659177
N-[2-[2-[2-[2-(ethylamino)ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 88534902
1-(2-cyanoethyl)-3-ethylurea
CID 60971056
1-ethyl-3-[2-(triazol-2-yl)ethyl]urea
CID 46914111

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(propylamino)ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-(propylamino)ethyl]urea (CID 62664925) is 1-ethyl-3-[2-(propylamino)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(propylamino)ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(propylamino)ethyl]urea is CCCNCCNC(=O)NCC.
What is the InChIKey of 1-ethyl-3-[2-(propylamino)ethyl]urea?
The InChIKey is VTXVJRSFSOYEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-3-5-9-6-7-11-8(12)10-4-2/h9H,3-7H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-ethyl-3-[2-(propylamino)ethyl]urea?
1-ethyl-3-[2-(propylamino)ethyl]urea has a molecular weight of 173.26 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(propylamino)ethyl]urea is sourced from PubChem (CID 62664925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).