N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide

C29H33N3O2 — CID 4222006

IUPACN-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide
SMILESCCCCCCCC(=O)Nc1ccc(C(=O)NN=CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H33N3O2/c1-2-3-4-5-12-17-28(33)31-26-20-18-25(19-21-26)29(34)32-30-22-27(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,18-22,27H,2-5,12,17H2,1H3,(H,31,33)(H,32,34)
InChIKeyLDHPKCNUTXVECP-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.53
Rot. Bonds12

About N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide

N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide (PubChem CID 4222006) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide.

Molecular Properties

Compound NameN-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide
PubChem CID4222006
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide
SMILESCCCCCCCC(=O)Nc1ccc(C(=O)NN=CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H33N3O2/c1-2-3-4-5-12-17-28(33)31-26-20-18-25(19-21-26)29(34)32-30-22-27(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,18-22,27H,2-5,12,17H2,1H3,(H,31,33)(H,32,34)
InChIKeyLDHPKCNUTXVECP-UHFFFAOYSA-N
XLogP6.53
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.53
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-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
4-(octanoylamino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 129437818
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(2-phenylpropylideneamino)heptanamide
CID 4588696
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide?
The IUPAC name of N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide (CID 4222006) is N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide.
What is the SMILES notation for N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide?
The canonical SMILES for N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide is CCCCCCCC(=O)Nc1ccc(C(=O)NN=CC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide?
The InChIKey is LDHPKCNUTXVECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-2-3-4-5-12-17-28(33)31-26-20-18-25(19-21-26)29(34)32-30-22-27(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,18-22,27H,2-5,12,17H2,1H3,(H,31,33)(H,32,34).
What are the key properties of N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide?
N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide has a molecular weight of 455.60 g/mol, XLogP of 6.53, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethylideneamino)-4-(octanoylamino)benzamide is sourced from PubChem (CID 4222006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).