2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide

C23H26N2O4 — CID 4227620

IUPAC2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide
SMILESCC(=O)C(CC(C(C)=O)C(=O)Nc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H26N2O4/c1-14-5-9-18(10-6-14)24-22(28)20(16(3)26)13-21(17(4)27)23(29)25-19-11-7-15(2)8-12-19/h5-12,20-21H,13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeySFLYUKJQSCMIER-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.68
Rot. Bonds8

About 2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide

2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide (PubChem CID 4227620) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide.

Molecular Properties

Compound Name2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide
PubChem CID4227620
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide
SMILESCC(=O)C(CC(C(C)=O)C(=O)Nc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H26N2O4/c1-14-5-9-18(10-6-14)24-22(28)20(16(3)26)13-21(17(4)27)23(29)25-19-11-7-15(2)8-12-19/h5-12,20-21H,13H2,1-4H3,(H,24,28)(H,25,29)
InChIKeySFLYUKJQSCMIER-UHFFFAOYSA-N
XLogP3.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diacetyl-N,N'-diphenylpentanediamide
CID 5218868
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
N-(4-methylphenyl)acetamide
CID 7684
[(2S,3S)-3-acetyloxy-1,4-bis(4-methylanilino)-1,4-dioxobutan-2-yl] acetate
CID 7035495
[3-acetyloxy-1,4-bis(4-methylanilino)-1,4-dioxobutan-2-yl] acetate
CID 4556529
3-cyano-2-methyl-N-(4-methylphenyl)propanamide
CID 82112482
N,2-bis(4-methylphenyl)butanamide
CID 2750915
diethyl 2-[(4-methylphenyl)carbamoyl]propanedioate
CID 135030041
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
2-bromo-3-methyl-N-(4-methylphenyl)butanamide
CID 24690960
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463

Frequently Asked Questions

What is the IUPAC name of 2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide?
The IUPAC name of 2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide (CID 4227620) is 2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide.
What is the SMILES notation for 2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide?
The canonical SMILES for 2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide is CC(=O)C(CC(C(C)=O)C(=O)Nc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide?
The InChIKey is SFLYUKJQSCMIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14-5-9-18(10-6-14)24-22(28)20(16(3)26)13-21(17(4)27)23(29)25-19-11-7-15(2)8-12-19/h5-12,20-21H,13H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of 2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide?
2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide has a molecular weight of 394.47 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide is sourced from PubChem (CID 4227620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).