N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide

C19H22N4O2 — CID 94847602

IUPACN-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H22N4O2/c1-23(2)17-10-8-16(9-11-17)14-21-22-19(25)12-18(24)20-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,24)(H,22,25)/b21-14+
InChIKeyKNAQNGPRKQZGOG-KGENOOAVSA-N
MW338.41 g/mol
LogP1.91
Rot. Bonds7

About N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide

N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide (PubChem CID 94847602) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide.

Molecular Properties

Compound NameN-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide
PubChem CID94847602
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide
SMILESCN(C)c1ccc(/C=N/NC(=O)CC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H22N4O2/c1-23(2)17-10-8-16(9-11-17)14-21-22-19(25)12-18(24)20-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,24)(H,22,25)/b21-14+
InChIKeyKNAQNGPRKQZGOG-KGENOOAVSA-N
XLogP1.91
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]hexanediamide
CID 92856210
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-benzyl-N'-[(E)-benzylideneamino]hexanediamide
CID 56689025
N-benzyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 137063527
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 773201
N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide
CID 58350172
N-benzyl-N'-[(E)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]propanediamide
CID 94832235
benzyl N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]carbamodithioate
CID 15849756
N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide
CID 3102448
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-methylbutanamide
CID 5407219
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide?
The IUPAC name of N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide (CID 94847602) is N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide.
What is the SMILES notation for N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide?
The canonical SMILES for N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide is CN(C)c1ccc(/C=N/NC(=O)CC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide?
The InChIKey is KNAQNGPRKQZGOG-KGENOOAVSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-23(2)17-10-8-16(9-11-17)14-21-22-19(25)12-18(24)20-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,24)(H,22,25)/b21-14+.
What are the key properties of N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide?
N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide has a molecular weight of 338.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide is sourced from PubChem (CID 94847602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).