N-(benzylideneamino)-4-(diethylaminomethyl)benzamide

C19H23N3O — CID 165351037

IUPACN-(benzylideneamino)-4-(diethylaminomethyl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3O/c1-3-22(4-2)15-17-10-12-18(13-11-17)19(23)21-20-14-16-8-6-5-7-9-16/h5-14H,3-4,15H2,1-2H3,(H,21,23)
InChIKeyDJAYJMFMOAMBLZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.29
Rot. Bonds7

About N-(benzylideneamino)-4-(diethylaminomethyl)benzamide

N-(benzylideneamino)-4-(diethylaminomethyl)benzamide (PubChem CID 165351037) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(benzylideneamino)-4-(diethylaminomethyl)benzamide.

Molecular Properties

Compound NameN-(benzylideneamino)-4-(diethylaminomethyl)benzamide
PubChem CID165351037
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(benzylideneamino)-4-(diethylaminomethyl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NN=Cc2ccccc2)cc1
InChIInChI=1S/C19H23N3O/c1-3-22(4-2)15-17-10-12-18(13-11-17)19(23)21-20-14-16-8-6-5-7-9-16/h5-14H,3-4,15H2,1-2H3,(H,21,23)
InChIKeyDJAYJMFMOAMBLZ-UHFFFAOYSA-N
XLogP3.29
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
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

N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
4-(diethylaminomethyl)-N-(2-phenylethenyl)benzamide
CID 174341683
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647573
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide
CID 110506592
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide
CID 86084165
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-4-(diethylaminomethyl)benzamide?
The IUPAC name of N-(benzylideneamino)-4-(diethylaminomethyl)benzamide (CID 165351037) is N-(benzylideneamino)-4-(diethylaminomethyl)benzamide.
What is the SMILES notation for N-(benzylideneamino)-4-(diethylaminomethyl)benzamide?
The canonical SMILES for N-(benzylideneamino)-4-(diethylaminomethyl)benzamide is CCN(CC)Cc1ccc(C(=O)NN=Cc2ccccc2)cc1.
What is the InChIKey of N-(benzylideneamino)-4-(diethylaminomethyl)benzamide?
The InChIKey is DJAYJMFMOAMBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-22(4-2)15-17-10-12-18(13-11-17)19(23)21-20-14-16-8-6-5-7-9-16/h5-14H,3-4,15H2,1-2H3,(H,21,23).
What are the key properties of N-(benzylideneamino)-4-(diethylaminomethyl)benzamide?
N-(benzylideneamino)-4-(diethylaminomethyl)benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-4-(diethylaminomethyl)benzamide is sourced from PubChem (CID 165351037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).