N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide

C18H19N3O2 — CID 4924958

IUPACN-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C18H19N3O2/c1-13(2)17(22)20-16-10-8-15(9-11-16)18(23)21-19-12-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,20,22)(H,21,23)
InChIKeyKDURPBCFYUXSJC-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.05
Rot. Bonds5

About N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide

N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide (PubChem CID 4924958) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide
PubChem CID4924958
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C18H19N3O2/c1-13(2)17(22)20-16-10-8-15(9-11-16)18(23)21-19-12-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,20,22)(H,21,23)
InChIKeyKDURPBCFYUXSJC-UHFFFAOYSA-N
XLogP3.05
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.05
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-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 137095702
4-(2-methylpropanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980551
N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 71207836
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924959
4-(2-methylpropanoylamino)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6245269
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide
CID 170647561
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide (CID 4924958) is N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(C(=O)NN=Cc2ccccc2)cc1.
What is the InChIKey of N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide?
The InChIKey is KDURPBCFYUXSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(2)17(22)20-16-10-8-15(9-11-16)18(23)21-19-12-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide?
N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide has a molecular weight of 309.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 4924958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).