N-benzyl-2,2-dimethylbutanehydrazide

C13H20N2O — CID 178067841

IUPACN-benzyl-2,2-dimethylbutanehydrazide
SMILESCCC(C)(C)C(=O)N(N)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-13(2,3)12(16)15(14)10-11-8-6-5-7-9-11/h5-9H,4,10,14H2,1-3H3
InChIKeyMQBNJWYMJUJFQM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.33
Rot. Bonds4

About N-benzyl-2,2-dimethylbutanehydrazide

N-benzyl-2,2-dimethylbutanehydrazide (PubChem CID 178067841) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-benzyl-2,2-dimethylbutanehydrazide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethylbutanehydrazide
PubChem CID178067841
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-benzyl-2,2-dimethylbutanehydrazide
SMILESCCC(C)(C)C(=O)N(N)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-13(2,3)12(16)15(14)10-11-8-6-5-7-9-11/h5-9H,4,10,14H2,1-3H3
InChIKeyMQBNJWYMJUJFQM-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.33
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

2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide
CID 178067829
N-benzyl-N-(2-hydroxyethyl)-2,2-dimethylbutanamide
CID 62679186
amino(benzyl)carbamic acid
CID 18704089
tert-butyl N-[benzyl(2,2-dimethylbutanoyl)amino]carbamate
CID 178067850
2-amino-N,N-dibenzyl-2-ethylbutanamide
CID 130161860
[(2S)-1-[benzyl(2,2-dimethylbutanoyl)amino]oxy-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 166732033
2-amino-N-benzyl-2-methyl-N-propylbutanamide
CID 79797442
amino(benzyl)carbamoperoxoic acid
CID 139935569
ethyl 2-[[amino(benzyl)carbamoyl]amino]acetate
CID 13133641
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
benzyl-[tert-butyl(carboxy)amino]carbamic acid
CID 66680917
2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethylbutanehydrazide?
The IUPAC name of N-benzyl-2,2-dimethylbutanehydrazide (CID 178067841) is N-benzyl-2,2-dimethylbutanehydrazide.
What is the SMILES notation for N-benzyl-2,2-dimethylbutanehydrazide?
The canonical SMILES for N-benzyl-2,2-dimethylbutanehydrazide is CCC(C)(C)C(=O)N(N)Cc1ccccc1.
What is the InChIKey of N-benzyl-2,2-dimethylbutanehydrazide?
The InChIKey is MQBNJWYMJUJFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-13(2,3)12(16)15(14)10-11-8-6-5-7-9-11/h5-9H,4,10,14H2,1-3H3.
What are the key properties of N-benzyl-2,2-dimethylbutanehydrazide?
N-benzyl-2,2-dimethylbutanehydrazide has a molecular weight of 220.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethylbutanehydrazide is sourced from PubChem (CID 178067841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).