N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide

C20H24N2O2 — CID 46781402

IUPACN,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide
SMILES[2H]c1c([2H])c([2H])c(NC(=O)CCCCCCC(=O)Nc2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C20H24N2O2/c23-19(21-17-11-5-3-6-12-17)15-9-1-2-10-16-20(24)22-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H,21,23)(H,22,24)/i3D,4D,5D,6D,7D,8D,11D,12D,13D,14D
InChIKeyQOSWSNDWUATJBJ-QQJQIFQQSA-N
MW334.49 g/mol
LogP4.60
Rot. Bonds9

About N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide

N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide (PubChem CID 46781402) has the molecular formula C20H24N2O2 and a molecular weight of 334.49 g/mol. Its IUPAC name is N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide.

Molecular Properties

Compound NameN,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide
PubChem CID46781402
Molecular FormulaC20H24N2O2
Molecular Weight334.49 g/mol
Exact Mass334.25
IUPAC NameN,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide
SMILES[2H]c1c([2H])c([2H])c(NC(=O)CCCCCCC(=O)Nc2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C20H24N2O2/c23-19(21-17-11-5-3-6-12-17)15-9-1-2-10-16-20(24)22-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H,21,23)(H,22,24)/i3D,4D,5D,6D,7D,8D,11D,12D,13D,14D
InChIKeyQOSWSNDWUATJBJ-QQJQIFQQSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
11-anilino-11-oxoundecanoic acid
CID 150341840
methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
CID 3310554
N,N'-bis(3,5-diacetylphenyl)octanediamide
CID 15541279
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-phenyl-9-sulfanylnonanamide
CID 89127947
N-phenylpentacosanamide
CID 19025260
N-phenyl-10-sulfanyldecanamide
CID 89127946
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide?
The IUPAC name of N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide (CID 46781402) is N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide.
What is the SMILES notation for N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide?
The canonical SMILES for N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide is [2H]c1c([2H])c([2H])c(NC(=O)CCCCCCC(=O)Nc2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide?
The InChIKey is QOSWSNDWUATJBJ-QQJQIFQQSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-19(21-17-11-5-3-6-12-17)15-9-1-2-10-16-20(24)22-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H,21,23)(H,22,24)/i3D,4D,5D,6D,7D,8D,11D,12D,13D,14D.
What are the key properties of N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide?
N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide has a molecular weight of 334.49 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,3,4,5,6-pentadeuteriophenyl)octanediamide is sourced from PubChem (CID 46781402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).