3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide

C26H27N3O2 — CID 3326267

IUPAC3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
SMILESCCCCC(=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)c1ccccc1
InChIInChI=1S/C26H27N3O2/c1-3-4-13-24(20-10-6-5-7-11-20)28-29-26(31)21-14-16-23(17-15-21)27-25(30)22-12-8-9-19(2)18-22/h5-12,14-18H,3-4,13H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyDLGGNMSQOSWBMC-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.57
Rot. Bonds8

About 3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide

3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide (PubChem CID 3326267) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
PubChem CID3326267
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
SMILESCCCCC(=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)c1ccccc1
InChIInChI=1S/C26H27N3O2/c1-3-4-13-24(20-10-6-5-7-11-20)28-29-26(31)21-14-16-23(17-15-21)27-25(30)22-12-8-9-19(2)18-22/h5-12,14-18H,3-4,13H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyDLGGNMSQOSWBMC-UHFFFAOYSA-N
XLogP5.57
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.57
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-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide
CID 19685646
N-(hexan-2-ylideneamino)-3-methylbenzamide
CID 5109597
3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide
CID 5201298
3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91169409
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea
CID 6131885
3-methyl-N-[4-(pentylamino)phenyl]benzamide
CID 112985190

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide (CID 3326267) is 3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide is CCCCC(=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)c1ccccc1.
What is the InChIKey of 3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide?
The InChIKey is DLGGNMSQOSWBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-3-4-13-24(20-10-6-5-7-11-20)28-29-26(31)21-14-16-23(17-15-21)27-25(30)22-12-8-9-19(2)18-22/h5-12,14-18H,3-4,13H2,1-2H3,(H,27,30)(H,29,31).
What are the key properties of 3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide?
3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 3326267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).