2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide

C13H21N3O — CID 159222275

IUPAC2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide
SMILESCNNCc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-13(2,3)12(17)16-11-7-5-10(6-8-11)9-15-14-4/h5-8,14-15H,9H2,1-4H3,(H,16,17)
InChIKeyDGVRAGKIDOIKDK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds4

About 2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide

2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide (PubChem CID 159222275) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide
PubChem CID159222275
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide
SMILESCNNCc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-13(2,3)12(17)16-11-7-5-10(6-8-11)9-15-14-4/h5-8,14-15H,9H2,1-4H3,(H,16,17)
InChIKeyDGVRAGKIDOIKDK-UHFFFAOYSA-N
XLogP1.90
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide
CID 112982446
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide
CID 161255145
N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
CID 82259731
N-ethyl-4-[(2-methylhydrazinyl)methyl]aniline
CID 143614466
5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid
CID 82260196
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide
CID 46760394
N-[4-(2-bromo-3-methylbutyl)phenyl]-2,2-dimethylpropanamide
CID 82259470
N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide
CID 82259967

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide (CID 159222275) is 2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide is CNNCc1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide?
The InChIKey is DGVRAGKIDOIKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)12(17)16-11-7-5-10(6-8-11)9-15-14-4/h5-8,14-15H,9H2,1-4H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide?
2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide is sourced from PubChem (CID 159222275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).