N,N'-bis(3,5-diacetylphenyl)octanediamide

C28H32N2O6 — CID 15541279

IUPACN,N'-bis(3,5-diacetylphenyl)octanediamide
SMILESCC(=O)c1cc(NC(=O)CCCCCCC(=O)Nc2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1
InChIInChI=1S/C28H32N2O6/c1-17(31)21-11-22(18(2)32)14-25(13-21)29-27(35)9-7-5-6-8-10-28(36)30-26-15-23(19(3)33)12-24(16-26)20(4)34/h11-16H,5-10H2,1-4H3,(H,29,35)(H,30,36)
InChIKeyJWRFDFKKXUSMRH-UHFFFAOYSA-N
MW492.57 g/mol
LogP5.41
Rot. Bonds13

About N,N'-bis(3,5-diacetylphenyl)octanediamide

N,N'-bis(3,5-diacetylphenyl)octanediamide (PubChem CID 15541279) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is N,N'-bis(3,5-diacetylphenyl)octanediamide.

Molecular Properties

Compound NameN,N'-bis(3,5-diacetylphenyl)octanediamide
PubChem CID15541279
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC NameN,N'-bis(3,5-diacetylphenyl)octanediamide
SMILESCC(=O)c1cc(NC(=O)CCCCCCC(=O)Nc2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1
InChIInChI=1S/C28H32N2O6/c1-17(31)21-11-22(18(2)32)14-25(13-21)29-27(35)9-7-5-6-8-10-28(36)30-26-15-23(19(3)33)12-24(16-26)20(4)34/h11-16H,5-10H2,1-4H3,(H,29,35)(H,30,36)
InChIKeyJWRFDFKKXUSMRH-UHFFFAOYSA-N
XLogP5.41
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-bis(3,5-diacetylphenyl)octanediamide 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'-(3,5-diacetylphenyl)dodecanediamide
CID 67588314
N'-(3,5-diacetylphenyl)nonanediamide
CID 67588670
N'-(3-acetyl-5-methylphenyl)decanediamide
CID 143191869
N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide
CID 172953339
5-(dodecanoylamino)benzene-1,3-dicarboxylic acid
CID 2832516
dimethyl 5-(undecanoylamino)benzene-1,3-dicarboxylate
CID 3567810
dimethyl 5-(nonanoylamino)benzene-1,3-dicarboxylate
CID 3527514
dimethyl 5-[[5-[3,5-bis(methoxycarbonyl)anilino]-5-oxopentanoyl]amino]benzene-1,3-dicarboxylate
CID 4100677
3,5-bis(dodecanoylamino)benzoic acid
CID 3575091
3,5-bis(tridecanoylamino)benzoic acid
CID 142485960
N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen
CID 170791141
5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide
CID 61273837

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3,5-diacetylphenyl)octanediamide?
The IUPAC name of N,N'-bis(3,5-diacetylphenyl)octanediamide (CID 15541279) is N,N'-bis(3,5-diacetylphenyl)octanediamide.
What is the SMILES notation for N,N'-bis(3,5-diacetylphenyl)octanediamide?
The canonical SMILES for N,N'-bis(3,5-diacetylphenyl)octanediamide is CC(=O)c1cc(NC(=O)CCCCCCC(=O)Nc2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1.
What is the InChIKey of N,N'-bis(3,5-diacetylphenyl)octanediamide?
The InChIKey is JWRFDFKKXUSMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-17(31)21-11-22(18(2)32)14-25(13-21)29-27(35)9-7-5-6-8-10-28(36)30-26-15-23(19(3)33)12-24(16-26)20(4)34/h11-16H,5-10H2,1-4H3,(H,29,35)(H,30,36).
What are the key properties of N,N'-bis(3,5-diacetylphenyl)octanediamide?
N,N'-bis(3,5-diacetylphenyl)octanediamide has a molecular weight of 492.57 g/mol, XLogP of 5.41, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3,5-diacetylphenyl)octanediamide is sourced from PubChem (CID 15541279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).