3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide

C18H21N3O3 — CID 26184762

IUPAC3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H21N3O3/c1-21(2)15-6-4-5-14(12-15)18(23)20-19-17(22)11-13-7-9-16(24-3)10-8-13/h4-10,12H,11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLPXOJMZUVBWOOF-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.76
Rot. Bonds5

About 3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide

3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide (PubChem CID 26184762) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
PubChem CID26184762
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H21N3O3/c1-21(2)15-6-4-5-14(12-15)18(23)20-19-17(22)11-13-7-9-16(24-3)10-8-13/h4-10,12H,11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLPXOJMZUVBWOOF-UHFFFAOYSA-N
XLogP1.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N'-[3-(3-methoxyphenyl)propanoyl]benzohydrazide
CID 34409132
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
CID 30485788
3-(dimethylamino)-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27606687
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3349610
3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide
CID 30486316
3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 38796379
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(dimethylamino)benzamide
CID 46286295
3-(dimethylamino)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 26184740
N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide
CID 26831201
N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide
CID 27605742
N'-[2-(4-methoxyphenyl)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 43002307

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide?
The IUPAC name of 3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide (CID 26184762) is 3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide.
What is the SMILES notation for 3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide?
The canonical SMILES for 3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide is COc1ccc(CC(=O)NNC(=O)c2cccc(N(C)C)c2)cc1.
What is the InChIKey of 3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide?
The InChIKey is LPXOJMZUVBWOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(2)15-6-4-5-14(12-15)18(23)20-19-17(22)11-13-7-9-16(24-3)10-8-13/h4-10,12H,11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide?
3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide has a molecular weight of 327.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 26184762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).