N,N'-bis(2-ethylhexyl)butanediamide

C20H40N2O2 — CID 2933775

IUPACN,N'-bis(2-ethylhexyl)butanediamide
SMILESCCCCC(CC)CNC(=O)CCC(=O)NCC(CC)CCCC
InChIInChI=1S/C20H40N2O2/c1-5-9-11-17(7-3)15-21-19(23)13-14-20(24)22-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyHFROAVSQZYUARR-UHFFFAOYSA-N
MW340.55 g/mol
LogP4.43
Rot. Bonds15

About N,N'-bis(2-ethylhexyl)butanediamide

N,N'-bis(2-ethylhexyl)butanediamide (PubChem CID 2933775) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is N,N'-bis(2-ethylhexyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(2-ethylhexyl)butanediamide
PubChem CID2933775
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC NameN,N'-bis(2-ethylhexyl)butanediamide
SMILESCCCCC(CC)CNC(=O)CCC(=O)NCC(CC)CCCC
InChIInChI=1S/C20H40N2O2/c1-5-9-11-17(7-3)15-21-19(23)13-14-20(24)22-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyHFROAVSQZYUARR-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N,N'-bis(2-ethylhexyl)butanediamide 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

Valeramide, N,2-dipropyl-
CID 200919
Valeramide, N-butyl-2-propyl-
CID 200921
N-(2-ethylhexyl)-3,5,5-trimethylhexanamide
CID 154734376
Valeramide, N-isobutyl-2-propyl-
CID 211202
N-Butyl-2-ethylhexanamide
CID 24058
2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide
CID 2931883
N-pentadecylpiperidine-4-carboxamide;hydrochloride
CID 11660783
N-(2-ethylhexyl)octadecanamide
CID 151289703
Valeramide, N-(3-(diethylamino)propyl)-2-propyl-
CID 200810
Valeramide, N-(3-(dimethylamino)propyl)-2-propyl-
CID 201023
Valeramide, N-(3-(dibutylamino)propyl)-2-propyl-
CID 211199
Pentanamide, 2-propyl-N-(2-propylpentyl)-
CID 218532

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-ethylhexyl)butanediamide?
The IUPAC name of N,N'-bis(2-ethylhexyl)butanediamide (CID 2933775) is N,N'-bis(2-ethylhexyl)butanediamide.
What is the SMILES notation for N,N'-bis(2-ethylhexyl)butanediamide?
The canonical SMILES for N,N'-bis(2-ethylhexyl)butanediamide is CCCCC(CC)CNC(=O)CCC(=O)NCC(CC)CCCC.
What is the InChIKey of N,N'-bis(2-ethylhexyl)butanediamide?
The InChIKey is HFROAVSQZYUARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-5-9-11-17(7-3)15-21-19(23)13-14-20(24)22-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(2-ethylhexyl)butanediamide?
N,N'-bis(2-ethylhexyl)butanediamide has a molecular weight of 340.55 g/mol, XLogP of 4.43, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-ethylhexyl)butanediamide is sourced from PubChem (CID 2933775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).