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

C24H31N3O2 — CID 4926193

IUPAC4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
SMILESCCCCCC(=NNC(=O)c1ccc(NC(=O)CCCC)cc1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-3-5-8-13-22(19-11-9-7-10-12-19)26-27-24(29)20-15-17-21(18-16-20)25-23(28)14-6-4-2/h7,9-12,15-18H,3-6,8,13-14H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyRPRODHXQRDJJQL-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.53
Rot. Bonds11

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

4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide (PubChem CID 4926193) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide.

Molecular Properties

Compound Name4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
PubChem CID4926193
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
SMILESCCCCCC(=NNC(=O)c1ccc(NC(=O)CCCC)cc1)c1ccccc1
InChIInChI=1S/C24H31N3O2/c1-3-5-8-13-22(19-11-9-7-10-12-19)26-27-24(29)20-15-17-21(18-16-20)25-23(28)14-6-4-2/h7,9-12,15-18H,3-6,8,13-14H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyRPRODHXQRDJJQL-UHFFFAOYSA-N
XLogP5.53
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide
CID 135681181
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
N-(1-phenylpentylideneamino)octanamide
CID 4676930
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
CID 3326267
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
4-(octanoylamino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 129437818

Frequently Asked Questions

What is the IUPAC name of 4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide?
The IUPAC name of 4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide (CID 4926193) is 4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide.
What is the SMILES notation for 4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide?
The canonical SMILES for 4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide is CCCCCC(=NNC(=O)c1ccc(NC(=O)CCCC)cc1)c1ccccc1.
What is the InChIKey of 4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide?
The InChIKey is RPRODHXQRDJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-5-8-13-22(19-11-9-7-10-12-19)26-27-24(29)20-15-17-21(18-16-20)25-23(28)14-6-4-2/h7,9-12,15-18H,3-6,8,13-14H2,1-2H3,(H,25,28)(H,27,29).
What are the key properties of 4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide?
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide has a molecular weight of 393.53 g/mol, XLogP of 5.53, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide is sourced from PubChem (CID 4926193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).