4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide

C23H29N3O3 — CID 90163616

IUPAC4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide
SMILESCNC(=O)CCCCCCNC(=O)c1ccc(N(C(C)=O)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O3/c1-18(27)26(20-10-6-5-7-11-20)21-15-13-19(14-16-21)23(29)25-17-9-4-3-8-12-22(28)24-2/h5-7,10-11,13-16H,3-4,8-9,12,17H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyZOAQJTBRYSDXOX-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.80
Rot. Bonds10

About 4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide

4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide (PubChem CID 90163616) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide.

Molecular Properties

Compound Name4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide
PubChem CID90163616
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide
SMILESCNC(=O)CCCCCCNC(=O)c1ccc(N(C(C)=O)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O3/c1-18(27)26(20-10-6-5-7-11-20)21-15-13-19(14-16-21)23(29)25-17-9-4-3-8-12-22(28)24-2/h5-7,10-11,13-16H,3-4,8-9,12,17H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyZOAQJTBRYSDXOX-UHFFFAOYSA-N
XLogP3.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[6-(methylamino)-6-oxohexyl]benzamide
CID 10039928
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462
4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide
CID 90163549
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide
CID 110839352
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-(N-acetylanilino)benzoic acid
CID 138332806

Frequently Asked Questions

What is the IUPAC name of 4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide?
The IUPAC name of 4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide (CID 90163616) is 4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide.
What is the SMILES notation for 4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide?
The canonical SMILES for 4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide is CNC(=O)CCCCCCNC(=O)c1ccc(N(C(C)=O)c2ccccc2)cc1.
What is the InChIKey of 4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide?
The InChIKey is ZOAQJTBRYSDXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18(27)26(20-10-6-5-7-11-20)21-15-13-19(14-16-21)23(29)25-17-9-4-3-8-12-22(28)24-2/h5-7,10-11,13-16H,3-4,8-9,12,17H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide?
4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-acetylanilino)-N-[7-(methylamino)-7-oxoheptyl]benzamide is sourced from PubChem (CID 90163616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).