N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide

C14H29N3O2 — CID 167513233

IUPACN-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide
SMILESCCC(=O)NNCCC(C)(C)CNC(=O)C(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-7-11(18)17-16-9-8-14(5,6)10-15-12(19)13(2,3)4/h16H,7-10H2,1-6H3,(H,15,19)(H,17,18)
InChIKeyWVNOKRFSLVMCFO-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.60
Rot. Bonds7

About N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide

N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide (PubChem CID 167513233) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide
PubChem CID167513233
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide
SMILESCCC(=O)NNCCC(C)(C)CNC(=O)C(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-7-11(18)17-16-9-8-14(5,6)10-15-12(19)13(2,3)4/h16H,7-10H2,1-6H3,(H,15,19)(H,17,18)
InChIKeyWVNOKRFSLVMCFO-UHFFFAOYSA-N
XLogP1.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(hydrazinecarbonyl)propyl]-2,2-dimethylpropanamide
CID 43132144
N-[4-[2-[2-(2,2-dimethylpropanoylamino)ethyl]hydrazinyl]butyl]-2,2-dimethylpropanamide
CID 57228760
methyl N-(4-hydrazinyl-2,2-dimethyl-4-oxobutyl)carbamate
CID 87482218
N-butyl-4-hydrazinyl-4-oxobutanamide
CID 88521517
N-(1-hydrazinyl-3,3-dimethyl-1-oxobutan-2-yl)acetamide
CID 91324094
1-(3,3-Dimethylbutyl)-3-(2,2-dimethylpropanoylamino)urea
CID 126575146
N-(3,3-dimethyl-2-oxopyrrolidin-1-yl)butanamide
CID 139797965
N-(3-hydrazinyl-3-oxopropyl)-N,3,3-trimethylbutanamide
CID 144959673
N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide
CID 145289163
N-[4-oxo-4-(2-propanoylhydrazinyl)butyl]acetamide
CID 150709450
N-[4-(2-propanoylhydrazinyl)butyl]acetamide
CID 153920168
3,3-dimethyl-N'-[3-(propylamino)propanoyl]butanehydrazide
CID 155067555

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide (CID 167513233) is N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide is CCC(=O)NNCCC(C)(C)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide?
The InChIKey is WVNOKRFSLVMCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-7-11(18)17-16-9-8-14(5,6)10-15-12(19)13(2,3)4/h16H,7-10H2,1-6H3,(H,15,19)(H,17,18).
What are the key properties of N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide?
N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide has a molecular weight of 271.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-4-(2-propanoylhydrazinyl)butyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 167513233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).