N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide

C18H21N3O3 — CID 26831201

IUPACN'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)ccc1C
InChIInChI=1S/C18H21N3O3/c1-12-8-9-14(11-16(12)24-4)18(23)20-19-17(22)13-6-5-7-15(10-13)21(2)3/h5-11H,1-4H3,(H,19,22)(H,20,23)
InChIKeyBOTINPRWYYCPAX-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.14
Rot. Bonds4

About N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide

N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide (PubChem CID 26831201) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide
PubChem CID26831201
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)ccc1C
InChIInChI=1S/C18H21N3O3/c1-12-8-9-14(11-16(12)24-4)18(23)20-19-17(22)13-6-5-7-15(10-13)21(2)3/h5-11H,1-4H3,(H,19,22)(H,20,23)
InChIKeyBOTINPRWYYCPAX-UHFFFAOYSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.14
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)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 105127292
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
3-(dimethylamino)-N'-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]benzohydrazide
CID 26262587
3-(dimethylamino)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 26184740
3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 26184762
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
CID 30485788
N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide
CID 27605742
3-(dimethylamino)-N'-[3-(3-methoxyphenyl)propanoyl]benzohydrazide
CID 34409132
3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787497
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
CID 78779693
5-ethyl-N'-(3-methoxy-4-methylbenzoyl)-4-methylthiophene-2-carbohydrazide
CID 9091421

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide?
The IUPAC name of N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide (CID 26831201) is N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide.
What is the SMILES notation for N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide?
The canonical SMILES for N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide is COc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)ccc1C.
What is the InChIKey of N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide?
The InChIKey is BOTINPRWYYCPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-8-9-14(11-16(12)24-4)18(23)20-19-17(22)13-6-5-7-15(10-13)21(2)3/h5-11H,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide?
N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide has a molecular weight of 327.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)benzoyl]-3-methoxy-4-methylbenzohydrazide is sourced from PubChem (CID 26831201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).