N',N',2,2-tetraoctylpropanediamide

C35H70N2O2 — CID 146620373

IUPACN',N',2,2-tetraoctylpropanediamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)C(CCCCCCCC)(CCCCCCCC)C(N)=O
InChIInChI=1S/C35H70N2O2/c1-5-9-13-17-21-25-29-35(33(36)38,30-26-22-18-14-10-6-2)34(39)37(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3,(H2,36,38)
InChIKeyMWPAPKOCBXMOHS-UHFFFAOYSA-N
MW550.96 g/mol
LogP10.51
Rot. Bonds30

About N',N',2,2-tetraoctylpropanediamide

N',N',2,2-tetraoctylpropanediamide (PubChem CID 146620373) has the molecular formula C35H70N2O2 and a molecular weight of 550.96 g/mol. Its IUPAC name is N',N',2,2-tetraoctylpropanediamide.

Molecular Properties

Compound NameN',N',2,2-tetraoctylpropanediamide
PubChem CID146620373
Molecular FormulaC35H70N2O2
Molecular Weight550.96 g/mol
Exact Mass550.54
IUPAC NameN',N',2,2-tetraoctylpropanediamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)C(CCCCCCCC)(CCCCCCCC)C(N)=O
InChIInChI=1S/C35H70N2O2/c1-5-9-13-17-21-25-29-35(33(36)38,30-26-22-18-14-10-6-2)34(39)37(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3,(H2,36,38)
InChIKeyMWPAPKOCBXMOHS-UHFFFAOYSA-N
XLogP10.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.96
LogP ≤ 510.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,N-dihexyl-2-methylpropanamide
CID 61265821
2,2-dimethyl-N,N-di(nonyl)propanamide
CID 532840
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
1-butyl-1-dodecylurea
CID 168918855
N',N'-dioctadecyloxamide
CID 54497742
2,2-dimethyldecanamide
CID 22596903
2,2-dimethylhexadecanamide
CID 23297438
calcium 2,2-didodecylpropanedioate
CID 153423845
2-icosyl-2-pentyldocosanamide
CID 175538156
carbamothioic S-acid;dihexadecylcarbamothioic S-acid
CID 88597147
N,N,N',N'-tetrahexyloxamide
CID 6424911
dipotassium;2-dodecyl-2-hexylpropanedioate
CID 139411593

Frequently Asked Questions

What is the IUPAC name of N',N',2,2-tetraoctylpropanediamide?
The IUPAC name of N',N',2,2-tetraoctylpropanediamide (CID 146620373) is N',N',2,2-tetraoctylpropanediamide.
What is the SMILES notation for N',N',2,2-tetraoctylpropanediamide?
The canonical SMILES for N',N',2,2-tetraoctylpropanediamide is CCCCCCCCN(CCCCCCCC)C(=O)C(CCCCCCCC)(CCCCCCCC)C(N)=O.
What is the InChIKey of N',N',2,2-tetraoctylpropanediamide?
The InChIKey is MWPAPKOCBXMOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H70N2O2/c1-5-9-13-17-21-25-29-35(33(36)38,30-26-22-18-14-10-6-2)34(39)37(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3,(H2,36,38).
What are the key properties of N',N',2,2-tetraoctylpropanediamide?
N',N',2,2-tetraoctylpropanediamide has a molecular weight of 550.96 g/mol, XLogP of 10.51, 30 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',2,2-tetraoctylpropanediamide is sourced from PubChem (CID 146620373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).