2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate

C28H58N4O4 — CID 59782278

IUPAC2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate
SMILESCCCCN(CCCC)CCOC(=O)NCCCCCCNC(=O)OCCN(CCCC)CCCC
InChIInChI=1S/C28H58N4O4/c1-5-9-19-31(20-10-6-2)23-25-35-27(33)29-17-15-13-14-16-18-30-28(34)36-26-24-32(21-11-7-3)22-12-8-4/h5-26H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyPMUFLGNUXCEFGO-UHFFFAOYSA-N
MW514.80 g/mol
LogP5.80
Rot. Bonds25

About 2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate

2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate (PubChem CID 59782278) has the molecular formula C28H58N4O4 and a molecular weight of 514.80 g/mol. Its IUPAC name is 2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate.

Molecular Properties

Compound Name2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate
PubChem CID59782278
Molecular FormulaC28H58N4O4
Molecular Weight514.80 g/mol
Exact Mass514.45
IUPAC Name2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate
SMILESCCCCN(CCCC)CCOC(=O)NCCCCCCNC(=O)OCCN(CCCC)CCCC
InChIInChI=1S/C28H58N4O4/c1-5-9-19-31(20-10-6-2)23-25-35-27(33)29-17-15-13-14-16-18-30-28(34)36-26-24-32(21-11-7-3)22-12-8-4/h5-26H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyPMUFLGNUXCEFGO-UHFFFAOYSA-N
XLogP5.80
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.80
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate 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

methyl N-[2-[bis[2-(butylcarbamoyloxy)ethyl]amino]ethyl]carbamate;hydrochloride
CID 88513482
hexyl N-tetradecylcarbamate
CID 91739120
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
2-bromoethyl N-octadecylcarbamate
CID 59133738
azane;octyl N-octylcarbamate
CID 175531380
2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine
CID 160828496
2-hydroxyethyl N-heptylcarbamate
CID 124705283
2-[1-(octadecylcarbamoyloxy)ethenyl-[2-(octadecylcarbamoyloxy)ethyl]amino]ethyl N-octadecylcarbamate
CID 22889508
ethane;2-(heptylamino)ethyl N-butylcarbamate
CID 144831677

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate?
The IUPAC name of 2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate (CID 59782278) is 2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate.
What is the SMILES notation for 2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate?
The canonical SMILES for 2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate is CCCCN(CCCC)CCOC(=O)NCCCCCCNC(=O)OCCN(CCCC)CCCC.
What is the InChIKey of 2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate?
The InChIKey is PMUFLGNUXCEFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58N4O4/c1-5-9-19-31(20-10-6-2)23-25-35-27(33)29-17-15-13-14-16-18-30-28(34)36-26-24-32(21-11-7-3)22-12-8-4/h5-26H2,1-4H3,(H,29,33)(H,30,34).
What are the key properties of 2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate?
2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate has a molecular weight of 514.80 g/mol, XLogP of 5.80, 25 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate is sourced from PubChem (CID 59782278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).