4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide

C21H25N3O2 — CID 4926136

IUPAC4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NN=C(CC)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c1-3-5-11-20(25)22-18-14-12-17(13-15-18)21(26)24-23-19(4-2)16-9-7-6-8-10-16/h6-10,12-15H,3-5,11H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyFGKLYAUOCXNTJL-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.36
Rot. Bonds8

About 4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide

4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide (PubChem CID 4926136) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide.

Molecular Properties

Compound Name4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
PubChem CID4926136
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NN=C(CC)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c1-3-5-11-20(25)22-18-14-12-17(13-15-18)21(26)24-23-19(4-2)16-9-7-6-8-10-16/h6-10,12-15H,3-5,11H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyFGKLYAUOCXNTJL-UHFFFAOYSA-N
XLogP4.36
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide
CID 135681181
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
CID 7534633
3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
CID 3326267
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3266986
N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide
CID 4222006

Frequently Asked Questions

What is the IUPAC name of 4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide?
The IUPAC name of 4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide (CID 4926136) is 4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide.
What is the SMILES notation for 4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide?
The canonical SMILES for 4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)NN=C(CC)c2ccccc2)cc1.
What is the InChIKey of 4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide?
The InChIKey is FGKLYAUOCXNTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-5-11-20(25)22-18-14-12-17(13-15-18)21(26)24-23-19(4-2)16-9-7-6-8-10-16/h6-10,12-15H,3-5,11H2,1-2H3,(H,22,25)(H,24,26).
What are the key properties of 4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide?
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide has a molecular weight of 351.45 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide is sourced from PubChem (CID 4926136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).