2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate

C16H34N4O4 — CID 3088658

IUPAC2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCN(CCN)CCOC(=O)NCCCC
InChIInChI=1S/C16H34N4O4/c1-3-5-8-18-15(21)23-13-11-20(10-7-17)12-14-24-16(22)19-9-6-4-2/h3-14,17H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyDDORTSYMZFRMOQ-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.30
Rot. Bonds14

About 2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate

2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate (PubChem CID 3088658) has the molecular formula C16H34N4O4 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate.

Molecular Properties

Compound Name2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate
PubChem CID3088658
Molecular FormulaC16H34N4O4
Molecular Weight346.47 g/mol
Exact Mass346.26
IUPAC Name2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCN(CCN)CCOC(=O)NCCCC
InChIInChI=1S/C16H34N4O4/c1-3-5-8-18-15(21)23-13-11-20(10-7-17)12-14-24-16(22)19-9-6-4-2/h3-14,17H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyDDORTSYMZFRMOQ-UHFFFAOYSA-N
XLogP1.30
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate 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 2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate?
The IUPAC name of 2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate (CID 3088658) is 2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate.
What is the SMILES notation for 2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate?
The canonical SMILES for 2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate is CCCCNC(=O)OCCN(CCN)CCOC(=O)NCCCC.
What is the InChIKey of 2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate?
The InChIKey is DDORTSYMZFRMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O4/c1-3-5-8-18-15(21)23-13-11-20(10-7-17)12-14-24-16(22)19-9-6-4-2/h3-14,17H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate?
2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate has a molecular weight of 346.47 g/mol, XLogP of 1.30, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl-[2-(butylcarbamoyloxy)ethyl]amino]ethyl N-butylcarbamate is sourced from PubChem (CID 3088658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).