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

C20H42N4O4 — CID 3319296

IUPAC2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate
SMILESCCN(CC)CCOC(=O)NCCCCCCNC(=O)OCCN(CC)CC
InChIInChI=1S/C20H42N4O4/c1-5-23(6-2)15-17-27-19(25)21-13-11-9-10-12-14-22-20(26)28-18-16-24(7-3)8-4/h5-18H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyKETHSIZJDSAPFL-UHFFFAOYSA-N
MW402.58 g/mol
LogP2.68
Rot. Bonds17

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

2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate (PubChem CID 3319296) has the molecular formula C20H42N4O4 and a molecular weight of 402.58 g/mol. Its IUPAC name is 2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate.

Molecular Properties

Compound Name2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate
PubChem CID3319296
Molecular FormulaC20H42N4O4
Molecular Weight402.58 g/mol
Exact Mass402.32
IUPAC Name2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate
SMILESCCN(CC)CCOC(=O)NCCCCCCNC(=O)OCCN(CC)CC
InChIInChI=1S/C20H42N4O4/c1-5-23(6-2)15-17-27-19(25)21-13-11-9-10-12-14-22-20(26)28-18-16-24(7-3)8-4/h5-18H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyKETHSIZJDSAPFL-UHFFFAOYSA-N
XLogP2.68
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate?
The IUPAC name of 2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate (CID 3319296) is 2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate.
What is the SMILES notation for 2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate?
The canonical SMILES for 2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate is CCN(CC)CCOC(=O)NCCCCCCNC(=O)OCCN(CC)CC.
What is the InChIKey of 2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate?
The InChIKey is KETHSIZJDSAPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4O4/c1-5-23(6-2)15-17-27-19(25)21-13-11-9-10-12-14-22-20(26)28-18-16-24(7-3)8-4/h5-18H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of 2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate?
2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate has a molecular weight of 402.58 g/mol, XLogP of 2.68, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl N-[6-[2-(diethylamino)ethoxycarbonylamino]hexyl]carbamate is sourced from PubChem (CID 3319296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).