N'-(3,5-diacetylphenyl)dodecanediamide

C22H32N2O4 — CID 67588314

IUPACN'-(3,5-diacetylphenyl)dodecanediamide
SMILESCC(=O)c1cc(NC(=O)CCCCCCCCCCC(N)=O)cc(C(C)=O)c1
InChIInChI=1S/C22H32N2O4/c1-16(25)18-13-19(17(2)26)15-20(14-18)24-22(28)12-10-8-6-4-3-5-7-9-11-21(23)27/h13-15H,3-12H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyLDSZPVBTJMYYCO-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.42
Rot. Bonds14

About N'-(3,5-diacetylphenyl)dodecanediamide

N'-(3,5-diacetylphenyl)dodecanediamide (PubChem CID 67588314) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is N'-(3,5-diacetylphenyl)dodecanediamide.

Molecular Properties

Compound NameN'-(3,5-diacetylphenyl)dodecanediamide
PubChem CID67588314
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC NameN'-(3,5-diacetylphenyl)dodecanediamide
SMILESCC(=O)c1cc(NC(=O)CCCCCCCCCCC(N)=O)cc(C(C)=O)c1
InChIInChI=1S/C22H32N2O4/c1-16(25)18-13-19(17(2)26)15-20(14-18)24-22(28)12-10-8-6-4-3-5-7-9-11-21(23)27/h13-15H,3-12H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyLDSZPVBTJMYYCO-UHFFFAOYSA-N
XLogP4.42
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-diacetylphenyl)nonanediamide
CID 67588670
N,N'-bis(3,5-diacetylphenyl)octanediamide
CID 15541279
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
5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide
CID 61273837
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

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-diacetylphenyl)dodecanediamide?
The IUPAC name of N'-(3,5-diacetylphenyl)dodecanediamide (CID 67588314) is N'-(3,5-diacetylphenyl)dodecanediamide.
What is the SMILES notation for N'-(3,5-diacetylphenyl)dodecanediamide?
The canonical SMILES for N'-(3,5-diacetylphenyl)dodecanediamide is CC(=O)c1cc(NC(=O)CCCCCCCCCCC(N)=O)cc(C(C)=O)c1.
What is the InChIKey of N'-(3,5-diacetylphenyl)dodecanediamide?
The InChIKey is LDSZPVBTJMYYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-16(25)18-13-19(17(2)26)15-20(14-18)24-22(28)12-10-8-6-4-3-5-7-9-11-21(23)27/h13-15H,3-12H2,1-2H3,(H2,23,27)(H,24,28).
What are the key properties of N'-(3,5-diacetylphenyl)dodecanediamide?
N'-(3,5-diacetylphenyl)dodecanediamide has a molecular weight of 388.51 g/mol, XLogP of 4.42, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-diacetylphenyl)dodecanediamide is sourced from PubChem (CID 67588314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).