benzene;N-ethylethanamine;ethyl N-propylcarbamate

C16H30N2O2 — CID 67791540

IUPACbenzene;N-ethylethanamine;ethyl N-propylcarbamate
SMILESCCCNC(=O)OCC.CCNCC.c1ccccc1
InChIInChI=1S/C6H13NO2.C6H6.C4H11N/c1-3-5-7-6(8)9-4-2;1-2-4-6-5-3-1;1-3-5-4-2/h3-5H2,1-2H3,(H,7,8);1-6H;5H,3-4H2,1-2H3
InChIKeyHHSGESMKBUSLFN-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.44
Rot. Bonds5

About benzene;N-ethylethanamine;ethyl N-propylcarbamate

benzene;N-ethylethanamine;ethyl N-propylcarbamate (PubChem CID 67791540) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is benzene;N-ethylethanamine;ethyl N-propylcarbamate.

Molecular Properties

Compound Namebenzene;N-ethylethanamine;ethyl N-propylcarbamate
PubChem CID67791540
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namebenzene;N-ethylethanamine;ethyl N-propylcarbamate
SMILESCCCNC(=O)OCC.CCNCC.c1ccccc1
InChIInChI=1S/C6H13NO2.C6H6.C4H11N/c1-3-5-7-6(8)9-4-2;1-2-4-6-5-3-1;1-3-5-4-2/h3-5H2,1-2H3,(H,7,8);1-6H;5H,3-4H2,1-2H3
InChIKeyHHSGESMKBUSLFN-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzene;N-ethylethanamine;ethyl N-propylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;N-ethylethanamine;ethyl N-propylcarbamate?
The IUPAC name of benzene;N-ethylethanamine;ethyl N-propylcarbamate (CID 67791540) is benzene;N-ethylethanamine;ethyl N-propylcarbamate.
What is the SMILES notation for benzene;N-ethylethanamine;ethyl N-propylcarbamate?
The canonical SMILES for benzene;N-ethylethanamine;ethyl N-propylcarbamate is CCCNC(=O)OCC.CCNCC.c1ccccc1.
What is the InChIKey of benzene;N-ethylethanamine;ethyl N-propylcarbamate?
The InChIKey is HHSGESMKBUSLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C6H6.C4H11N/c1-3-5-7-6(8)9-4-2;1-2-4-6-5-3-1;1-3-5-4-2/h3-5H2,1-2H3,(H,7,8);1-6H;5H,3-4H2,1-2H3.
What are the key properties of benzene;N-ethylethanamine;ethyl N-propylcarbamate?
benzene;N-ethylethanamine;ethyl N-propylcarbamate has a molecular weight of 282.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-ethylethanamine;ethyl N-propylcarbamate is sourced from PubChem (CID 67791540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).