3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide

C14H21N3O2 — CID 30485788

IUPAC3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-10(2)8-13(18)15-16-14(19)11-6-5-7-12(9-11)17(3)4/h5-7,9-10H,8H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyFSJWNVKPJUAZHI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.56
Rot. Bonds4

About 3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide

3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide (PubChem CID 30485788) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
PubChem CID30485788
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-10(2)8-13(18)15-16-14(19)11-6-5-7-12(9-11)17(3)4/h5-7,9-10H,8H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyFSJWNVKPJUAZHI-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methylbutanoylamino)carbamoyl]benzamide
CID 30828709
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
CID 78779693
3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 26184762
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
3-(dimethylamino)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 26184740
3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide
CID 30486316
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
3-(dimethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 30604269
3-(dimethylamino)-N'-[3-(3-methoxyphenyl)propanoyl]benzohydrazide
CID 34409132
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide?
The IUPAC name of 3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide (CID 30485788) is 3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide.
What is the SMILES notation for 3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide?
The canonical SMILES for 3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide is CC(C)CC(=O)NNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide?
The InChIKey is FSJWNVKPJUAZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)8-13(18)15-16-14(19)11-6-5-7-12(9-11)17(3)4/h5-7,9-10H,8H2,1-4H3,(H,15,18)(H,16,19).
What are the key properties of 3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide?
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide has a molecular weight of 263.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide is sourced from PubChem (CID 30485788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).