2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine

C23H50N4O3 — CID 160828496

IUPAC2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine
SMILESCCCCC(=O)NCCCCCCNC(=O)OCCN(CC)CC.CCN(C)CC
InChIInChI=1S/C18H37N3O3.C5H13N/c1-4-7-12-17(22)19-13-10-8-9-11-14-20-18(23)24-16-15-21(5-2)6-3;1-4-6(3)5-2/h4-16H2,1-3H3,(H,19,22)(H,20,23);4-5H2,1-3H3
InChIKeySGMLINZKFVDOJG-UHFFFAOYSA-N
MW430.68 g/mol
LogP3.88
Rot. Bonds17

About 2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine

2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine (PubChem CID 160828496) has the molecular formula C23H50N4O3 and a molecular weight of 430.68 g/mol. Its IUPAC name is 2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine
PubChem CID160828496
Molecular FormulaC23H50N4O3
Molecular Weight430.68 g/mol
Exact Mass430.39
IUPAC Name2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine
SMILESCCCCC(=O)NCCCCCCNC(=O)OCCN(CC)CC.CCN(C)CC
InChIInChI=1S/C18H37N3O3.C5H13N/c1-4-7-12-17(22)19-13-10-8-9-11-14-20-18(23)24-16-15-21(5-2)6-3;1-4-6(3)5-2/h4-16H2,1-3H3,(H,19,22)(H,20,23);4-5H2,1-3H3
InChIKeySGMLINZKFVDOJG-UHFFFAOYSA-N
XLogP3.88
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.68
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(dibutylamino)ethyl N-[6-[2-(dibutylamino)ethoxycarbonylamino]hexyl]carbamate
CID 59782278
butyl N-[2-(pentanoylamino)ethyl]carbamate
CID 108573829
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
N-tetradecylpentanamide
CID 87172595
2-[2-[ethyl(methyl)amino]ethoxy]-N-hexylacetamide
CID 170742438
N-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 102116497
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine?
The IUPAC name of 2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine (CID 160828496) is 2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine?
The canonical SMILES for 2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine is CCCCC(=O)NCCCCCCNC(=O)OCCN(CC)CC.CCN(C)CC.
What is the InChIKey of 2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine?
The InChIKey is SGMLINZKFVDOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O3.C5H13N/c1-4-7-12-17(22)19-13-10-8-9-11-14-20-18(23)24-16-15-21(5-2)6-3;1-4-6(3)5-2/h4-16H2,1-3H3,(H,19,22)(H,20,23);4-5H2,1-3H3.
What are the key properties of 2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine?
2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine has a molecular weight of 430.68 g/mol, XLogP of 3.88, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl N-[6-(pentanoylamino)hexyl]carbamate;N-ethyl-N-methylethanamine is sourced from PubChem (CID 160828496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).