4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide

C22H27N3O2 — CID 3380724

IUPAC4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
SMILESCCCCC(=NNC(=O)c1ccc(NC(=O)CCC)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-3-5-12-20(17-10-7-6-8-11-17)24-25-22(27)18-13-15-19(16-14-18)23-21(26)9-4-2/h6-8,10-11,13-16H,3-5,9,12H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyPMFYVOCJQFHJMT-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.75
Rot. Bonds9

About 4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide

4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide (PubChem CID 3380724) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
PubChem CID3380724
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
SMILESCCCCC(=NNC(=O)c1ccc(NC(=O)CCC)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-3-5-12-20(17-10-7-6-8-11-17)24-25-22(27)18-13-15-19(16-14-18)23-21(26)9-4-2/h6-8,10-11,13-16H,3-5,9,12H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyPMFYVOCJQFHJMT-UHFFFAOYSA-N
XLogP4.75
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.75
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
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
CID 3326267
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide
CID 135681181
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3384778
4-hexoxy-N-(1-phenylpentylideneamino)benzamide
CID 4930589
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide?
The IUPAC name of 4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide (CID 3380724) is 4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide?
The canonical SMILES for 4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide is CCCCC(=NNC(=O)c1ccc(NC(=O)CCC)cc1)c1ccccc1.
What is the InChIKey of 4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide?
The InChIKey is PMFYVOCJQFHJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-5-12-20(17-10-7-6-8-11-17)24-25-22(27)18-13-15-19(16-14-18)23-21(26)9-4-2/h6-8,10-11,13-16H,3-5,9,12H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of 4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide?
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide has a molecular weight of 365.48 g/mol, XLogP of 4.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide is sourced from PubChem (CID 3380724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).