2,4-diacetyl-N,N'-diphenylpentanediamide

C21H22N2O4 — CID 5218868

IUPAC2,4-diacetyl-N,N'-diphenylpentanediamide
SMILESCC(=O)C(CC(C(C)=O)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H22N2O4/c1-14(24)18(20(26)22-16-9-5-3-6-10-16)13-19(15(2)25)21(27)23-17-11-7-4-8-12-17/h3-12,18-19H,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXFOLUDAVXMIUDC-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.06
Rot. Bonds8

About 2,4-diacetyl-N,N'-diphenylpentanediamide

2,4-diacetyl-N,N'-diphenylpentanediamide (PubChem CID 5218868) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2,4-diacetyl-N,N'-diphenylpentanediamide.

Molecular Properties

Compound Name2,4-diacetyl-N,N'-diphenylpentanediamide
PubChem CID5218868
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2,4-diacetyl-N,N'-diphenylpentanediamide
SMILESCC(=O)C(CC(C(C)=O)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H22N2O4/c1-14(24)18(20(26)22-16-9-5-3-6-10-16)13-19(15(2)25)21(27)23-17-11-7-4-8-12-17/h3-12,18-19H,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXFOLUDAVXMIUDC-UHFFFAOYSA-N
XLogP3.06
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.06
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'-bis(4-methylphenyl)pentanediamide
CID 4227620
(2R)-2-chloro-3-oxo-N-phenylbutanamide
CID 737830
2-bromo-N-phenylpentanamide
CID 56980184
4-methyl-N-phenyl-2-sulfanylpentanamide
CID 162738947
4-chloro-2-methyl-3-oxo-N-phenylbutanamide
CID 21287643
(2R)-2-amino-N-phenylpropanamide
CID 10607114
cobalt;N-phenylacetamide
CID 158689050
(1-acetyloxy-2-anilino-2-oxoethyl) acetate
CID 177149111
(2S)-2,4-dichloro-3-oxo-N-phenylbutanamide
CID 98058305
2-isocyano-4-methyl-N-phenylpentanamide
CID 71322028
methyl 4-anilino-3-benzoyl-4-oxobutanoate
CID 138319873
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606

Frequently Asked Questions

What is the IUPAC name of 2,4-diacetyl-N,N'-diphenylpentanediamide?
The IUPAC name of 2,4-diacetyl-N,N'-diphenylpentanediamide (CID 5218868) is 2,4-diacetyl-N,N'-diphenylpentanediamide.
What is the SMILES notation for 2,4-diacetyl-N,N'-diphenylpentanediamide?
The canonical SMILES for 2,4-diacetyl-N,N'-diphenylpentanediamide is CC(=O)C(CC(C(C)=O)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2,4-diacetyl-N,N'-diphenylpentanediamide?
The InChIKey is XFOLUDAVXMIUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14(24)18(20(26)22-16-9-5-3-6-10-16)13-19(15(2)25)21(27)23-17-11-7-4-8-12-17/h3-12,18-19H,13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 2,4-diacetyl-N,N'-diphenylpentanediamide?
2,4-diacetyl-N,N'-diphenylpentanediamide has a molecular weight of 366.42 g/mol, XLogP of 3.06, 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'-diphenylpentanediamide is sourced from PubChem (CID 5218868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).