4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide

C19H21N3O2 — CID 3796469

IUPAC4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
SMILESCC(=CC(=O)c1ccccc1)NNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H21N3O2/c1-14(13-18(23)15-7-5-4-6-8-15)20-21-19(24)16-9-11-17(12-10-16)22(2)3/h4-13,20H,1-3H3,(H,21,24)
InChIKeyYXIFSOGPCNDAHK-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.77
Rot. Bonds6

About 4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide

4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide (PubChem CID 3796469) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
PubChem CID3796469
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
SMILESCC(=CC(=O)c1ccccc1)NNC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H21N3O2/c1-14(13-18(23)15-7-5-4-6-8-15)20-21-19(24)16-9-11-17(12-10-16)22(2)3/h4-13,20H,1-3H3,(H,21,24)
InChIKeyYXIFSOGPCNDAHK-UHFFFAOYSA-N
XLogP2.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 102206203
(E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione
CID 177497438
3-acetyl-1-[4-(dimethylamino)phenyl]pent-2-ene-1,4-dione
CID 13295314
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
CID 4213770
4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide
CID 11832930
4-(dimethylamino)-N'-(1-phenylethyl)benzohydrazide
CID 19432094
N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline
CID 21335817
4-(dimethylamino)-N-[[[4-(dimethylamino)benzoyl]amino]carbamothioyl]benzamide
CID 24788094

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide?
The IUPAC name of 4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide (CID 3796469) is 4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide.
What is the SMILES notation for 4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide?
The canonical SMILES for 4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide is CC(=CC(=O)c1ccccc1)NNC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide?
The InChIKey is YXIFSOGPCNDAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14(13-18(23)15-7-5-4-6-8-15)20-21-19(24)16-9-11-17(12-10-16)22(2)3/h4-13,20H,1-3H3,(H,21,24).
What are the key properties of 4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide?
4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide has a molecular weight of 323.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide is sourced from PubChem (CID 3796469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).