N,N'-bis(2,2-diethoxyethyl)pentanediamide

C17H34N2O6 — CID 141334867

IUPACN,N'-bis(2,2-diethoxyethyl)pentanediamide
SMILESCCOC(CNC(=O)CCCC(=O)NCC(OCC)OCC)OCC
InChIInChI=1S/C17H34N2O6/c1-5-22-16(23-6-2)12-18-14(20)10-9-11-15(21)19-13-17(24-7-3)25-8-4/h16-17H,5-13H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyBCYXDBHYNNEOFO-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.19
Rot. Bonds16

About N,N'-bis(2,2-diethoxyethyl)pentanediamide

N,N'-bis(2,2-diethoxyethyl)pentanediamide (PubChem CID 141334867) has the molecular formula C17H34N2O6 and a molecular weight of 362.47 g/mol. Its IUPAC name is N,N'-bis(2,2-diethoxyethyl)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(2,2-diethoxyethyl)pentanediamide
PubChem CID141334867
Molecular FormulaC17H34N2O6
Molecular Weight362.47 g/mol
Exact Mass362.24
IUPAC NameN,N'-bis(2,2-diethoxyethyl)pentanediamide
SMILESCCOC(CNC(=O)CCCC(=O)NCC(OCC)OCC)OCC
InChIInChI=1S/C17H34N2O6/c1-5-22-16(23-6-2)12-18-14(20)10-9-11-15(21)19-13-17(24-7-3)25-8-4/h16-17H,5-13H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyBCYXDBHYNNEOFO-UHFFFAOYSA-N
XLogP1.19
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N'-bis(2,2-diethoxyethyl)pentanediamide 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

N-(2,2-diethoxyethyl)hexanamide
CID 79547284
N-(2,2-diethoxyethyl)butanamide
CID 79548415
5-amino-N-(2,2-diethoxyethyl)pentanamide
CID 79547358
(2,3,4,5,6-pentafluorophenyl) 5-(2,2-diethoxyethylamino)-5-oxopentanoate
CID 14938940
N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide
CID 79547706
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447
3-(4-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
CID 115341571
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644
5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 79548215
N-(2-ethoxypropyl)dodecanamide
CID 173205784
2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide
CID 79853724

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,2-diethoxyethyl)pentanediamide?
The IUPAC name of N,N'-bis(2,2-diethoxyethyl)pentanediamide (CID 141334867) is N,N'-bis(2,2-diethoxyethyl)pentanediamide.
What is the SMILES notation for N,N'-bis(2,2-diethoxyethyl)pentanediamide?
The canonical SMILES for N,N'-bis(2,2-diethoxyethyl)pentanediamide is CCOC(CNC(=O)CCCC(=O)NCC(OCC)OCC)OCC.
What is the InChIKey of N,N'-bis(2,2-diethoxyethyl)pentanediamide?
The InChIKey is BCYXDBHYNNEOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O6/c1-5-22-16(23-6-2)12-18-14(20)10-9-11-15(21)19-13-17(24-7-3)25-8-4/h16-17H,5-13H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N,N'-bis(2,2-diethoxyethyl)pentanediamide?
N,N'-bis(2,2-diethoxyethyl)pentanediamide has a molecular weight of 362.47 g/mol, XLogP of 1.19, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2-diethoxyethyl)pentanediamide is sourced from PubChem (CID 141334867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).