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

C16H34N4O4 — CID 4150216

IUPAC2-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate
SMILESCN(C)CCOC(=O)NCCCCCCNC(=O)OCCN(C)C
InChIInChI=1S/C16H34N4O4/c1-19(2)11-13-23-15(21)17-9-7-5-6-8-10-18-16(22)24-14-12-20(3)4/h5-14H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyKKGLZHFVTBIGMQ-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.12
Rot. Bonds13

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

2-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate (PubChem CID 4150216) has the molecular formula C16H34N4O4 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate
PubChem CID4150216
Molecular FormulaC16H34N4O4
Molecular Weight346.47 g/mol
Exact Mass346.26
IUPAC Name2-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate
SMILESCN(C)CCOC(=O)NCCCCCCNC(=O)OCCN(C)C
InChIInChI=1S/C16H34N4O4/c1-19(2)11-13-23-15(21)17-9-7-5-6-8-10-18-16(22)24-14-12-20(3)4/h5-14H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyKKGLZHFVTBIGMQ-UHFFFAOYSA-N
XLogP1.12
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.12
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-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate?
The IUPAC name of 2-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate (CID 4150216) is 2-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate.
What is the SMILES notation for 2-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate?
The canonical SMILES for 2-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate is CN(C)CCOC(=O)NCCCCCCNC(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate?
The InChIKey is KKGLZHFVTBIGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O4/c1-19(2)11-13-23-15(21)17-9-7-5-6-8-10-18-16(22)24-14-12-20(3)4/h5-14H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of 2-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate?
2-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate has a molecular weight of 346.47 g/mol, XLogP of 1.12, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl N-[6-[2-(dimethylamino)ethoxycarbonylamino]hexyl]carbamate is sourced from PubChem (CID 4150216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).