4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide

C19H23N3O — CID 3512909

IUPAC4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
SMILESCC(C)C(=NNC(=O)c1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-14(2)18(15-8-6-5-7-9-15)20-21-19(23)16-10-12-17(13-11-16)22(3)4/h5-14H,1-4H3,(H,21,23)
InChIKeyWEWZBOAOKRLOLG-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.54
Rot. Bonds5

About 4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide

4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide (PubChem CID 3512909) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
PubChem CID3512909
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
SMILESCC(C)C(=NNC(=O)c1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-14(2)18(15-8-6-5-7-9-15)20-21-19(23)16-10-12-17(13-11-16)22(3)4/h5-14H,1-4H3,(H,21,23)
InChIKeyWEWZBOAOKRLOLG-UHFFFAOYSA-N
XLogP3.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.54
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

4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 5417702
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
CID 5438344
N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide
CID 4982210
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 4152734
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 6314277
4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785
N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide
CID 134884255
N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide
CID 6154232
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide (CID 3512909) is 4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide is CC(C)C(=NNC(=O)c1ccc(N(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide?
The InChIKey is WEWZBOAOKRLOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14(2)18(15-8-6-5-7-9-15)20-21-19(23)16-10-12-17(13-11-16)22(3)4/h5-14H,1-4H3,(H,21,23).
What are the key properties of 4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide?
4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide has a molecular weight of 309.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide is sourced from PubChem (CID 3512909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).