N-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide

C15H24N2O — CID 139645801

IUPACN-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide
SMILESCc1cc(C)cc(C(=O)N(N)C(C)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O/c1-10-7-11(2)9-13(8-10)14(18)17(16)12(3)15(4,5)6/h7-9,12H,16H2,1-6H3
InChIKeyLCTVAXFTNLQZSS-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.05
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide

N-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide (PubChem CID 139645801) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide
PubChem CID139645801
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide
SMILESCc1cc(C)cc(C(=O)N(N)C(C)C(C)(C)C)c1
InChIInChI=1S/C15H24N2O/c1-10-7-11(2)9-13(8-10)14(18)17(16)12(3)15(4,5)6/h7-9,12H,16H2,1-6H3
InChIKeyLCTVAXFTNLQZSS-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-3,3-dimethylbutan-2-yl]-3,5-dimethylbenzohydrazide
CID 135226602
3-amino-1-(3,5-dimethylphenyl)-2,2,3-trimethylbutan-1-one
CID 116573501
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide
CID 104938816
2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 79266405
4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 60939876
methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate
CID 55007974
2-[butan-2-yl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 60828869
bis(3,5-dimethylphenyl)methanone
CID 15640171
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone
CID 55010786
N-(3,5-dimethylbenzoyl)-3,5-dimethyl-N-pyrimidin-2-ylbenzamide
CID 7338613
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide (CID 139645801) is N-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide is Cc1cc(C)cc(C(=O)N(N)C(C)C(C)(C)C)c1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide?
The InChIKey is LCTVAXFTNLQZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-7-11(2)9-13(8-10)14(18)17(16)12(3)15(4,5)6/h7-9,12H,16H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide?
N-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide has a molecular weight of 248.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3,5-dimethylbenzohydrazide is sourced from PubChem (CID 139645801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).