3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide

C15H23N3O2 — CID 78779693

IUPAC3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
SMILESCCC(CC)C(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-5-11(6-2)14(19)16-17-15(20)12-8-7-9-13(10-12)18(3)4/h7-11H,5-6H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyVACLURKZPGITAR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.95
Rot. Bonds5

About 3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide

3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide (PubChem CID 78779693) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
PubChem CID78779693
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
SMILESCCC(CC)C(=O)NNC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-5-11(6-2)14(19)16-17-15(20)12-8-7-9-13(10-12)18(3)4/h7-11H,5-6H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyVACLURKZPGITAR-UHFFFAOYSA-N
XLogP1.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.95
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

2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217823
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
CID 30485788
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 35768566
3-(dimethylamino)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 26184740
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
CID 110821528
N'-[4-(difluoromethoxy)benzoyl]-3-(dimethylamino)benzohydrazide
CID 27605742
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
benzyl N-[(2S)-1-[2-[3-(dimethylamino)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 26262502
N'-[3-(dimethylamino)benzoyl]-4-ethylthiadiazole-5-carbohydrazide
CID 37349014

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide?
The IUPAC name of 3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide (CID 78779693) is 3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide.
What is the SMILES notation for 3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide?
The canonical SMILES for 3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide is CCC(CC)C(=O)NNC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide?
The InChIKey is VACLURKZPGITAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-11(6-2)14(19)16-17-15(20)12-8-7-9-13(10-12)18(3)4/h7-11H,5-6H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of 3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide?
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide has a molecular weight of 277.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide is sourced from PubChem (CID 78779693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).