3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide

C20H23N3O3 — CID 26262587

IUPAC3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C20H23N3O3/c1-14-8-10-18(26-4)15(12-14)9-11-19(24)21-22-20(25)16-6-5-7-17(13-16)23(2)3/h5-13H,1-4H3,(H,21,24)(H,22,25)/b11-9+
InChIKeyMGHMLKDPNMISAV-PKNBQFBNSA-N
MW353.42 g/mol
LogP2.54
Rot. Bonds5

About 3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide

3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 26262587) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide
PubChem CID26262587
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C20H23N3O3/c1-14-8-10-18(26-4)15(12-14)9-11-19(24)21-22-20(25)16-6-5-7-17(13-16)23(2)3/h5-13H,1-4H3,(H,21,24)(H,22,25)/b11-9+
InChIKeyMGHMLKDPNMISAV-PKNBQFBNSA-N
XLogP2.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.54
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'}

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Related Compounds

N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 2672384
N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide
CID 26831201
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide
CID 26184751
4-bromo-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037298
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355
3-(dimethylamino)-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 30485890
N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9187429
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide
CID 6120980
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]acetic acid
CID 43241711
(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9210143
(E)-N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide (CID 26262587) is 3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide is COc1ccc(C)cc1/C=C/C(=O)NNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is MGHMLKDPNMISAV-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-8-10-18(26-4)15(12-14)9-11-19(24)21-22-20(25)16-6-5-7-17(13-16)23(2)3/h5-13H,1-4H3,(H,21,24)(H,22,25)/b11-9+.
What are the key properties of 3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide?
3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 353.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 26262587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).