2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide

C39H78N2O2 — CID 20752249

IUPAC2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(CC)(CC)C(=O)N(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C39H78N2O2/c1-11-21-25-33(15-5)29-40(30-34(16-6)26-22-12-2)37(42)39(19-9,20-10)38(43)41(31-35(17-7)27-23-13-3)32-36(18-8)28-24-14-4/h33-36H,11-32H2,1-10H3
InChIKeyAKBGXXUYAFXXGE-UHFFFAOYSA-N
MW607.07 g/mol
LogP11.32
Rot. Bonds28

About 2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide

2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide (PubChem CID 20752249) has the molecular formula C39H78N2O2 and a molecular weight of 607.07 g/mol. Its IUPAC name is 2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide.

Molecular Properties

Compound Name2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide
PubChem CID20752249
Molecular FormulaC39H78N2O2
Molecular Weight607.07 g/mol
Exact Mass606.61
IUPAC Name2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(CC)(CC)C(=O)N(CC(CC)CCCC)CC(CC)CCCC
InChIInChI=1S/C39H78N2O2/c1-11-21-25-33(15-5)29-40(30-34(16-6)26-22-12-2)37(42)39(19-9,20-10)38(43)41(31-35(17-7)27-23-13-3)32-36(18-8)28-24-14-4/h33-36H,11-32H2,1-10H3
InChIKeyAKBGXXUYAFXXGE-UHFFFAOYSA-N
XLogP11.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.07
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(2-ethylhexyl)carbamothioic S-acid
CID 25087104
N,N,N',N'-tetrakis(2-ethylhexyl)hexanediamide
CID 20752277
2-chloro-N,N-bis[(2R)-2-ethylhexyl]acetamide
CID 129361637
N,N-bis[(2R)-2-ethylhexyl]-2-[2-[[(2S)-2-ethylhexyl]-[(2R)-2-ethylhexyl]amino]-2-oxoethoxy]acetamide
CID 125400279
2-[bis[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]acetic acid
CID 138501386
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
hexakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum
CID 18173000
tetrakis(N,N-bis(2-ethylhexyl)carbamodithioate);molybdenum(4+)
CID 14251989
(E)-N,N,N'-tris(2-ethylhexyl)-N'-(2-ethyl-3-methylbutyl)but-2-enediamide
CID 21053692
2-[2-[bis(2-ethylhexyl)amino]-2-sulfanylideneethoxy]acetamide
CID 175930212
methyl 2-[2-ethylhexyl(methyl)amino]acetate
CID 62026323
[bis(2-ethylhexyl)amino]carbamic acid
CID 174534036

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide?
The IUPAC name of 2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide (CID 20752249) is 2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide.
What is the SMILES notation for 2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide?
The canonical SMILES for 2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)C(CC)(CC)C(=O)N(CC(CC)CCCC)CC(CC)CCCC.
What is the InChIKey of 2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide?
The InChIKey is AKBGXXUYAFXXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H78N2O2/c1-11-21-25-33(15-5)29-40(30-34(16-6)26-22-12-2)37(42)39(19-9,20-10)38(43)41(31-35(17-7)27-23-13-3)32-36(18-8)28-24-14-4/h33-36H,11-32H2,1-10H3.
What are the key properties of 2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide?
2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide has a molecular weight of 607.07 g/mol, XLogP of 11.32, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N,N,N',N'-tetrakis(2-ethylhexyl)propanediamide is sourced from PubChem (CID 20752249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).