3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide

C11H15N3O3 — CID 113307498

IUPAC3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide
SMILESCC(C)(CN)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O3/c1-11(2,7-12)10(15)13-8-3-5-9(6-4-8)14(16)17/h3-6H,7,12H2,1-2H3,(H,13,15)
InChIKeyFDXYMYAMWGXKCT-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.52
Rot. Bonds4

About 3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide

3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide (PubChem CID 113307498) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide
PubChem CID113307498
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide
SMILESCC(C)(CN)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O3/c1-11(2,7-12)10(15)13-8-3-5-9(6-4-8)14(16)17/h3-6H,7,12H2,1-2H3,(H,13,15)
InChIKeyFDXYMYAMWGXKCT-UHFFFAOYSA-N
XLogP1.52
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2,2-dimethyl-4-(4-nitrophenyl)-4-oxobutanoyl]amino]benzoic acid
CID 162201246
3-amino-N-(2-cyano-4-nitrophenyl)-2,2-dimethylpropanamide
CID 115426279
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
CID 616367
4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
(2R)-2-amino-3,3-dimethyl-N-(4-nitrophenyl)butanamide
CID 103928418
2,2-dimethyl-N-[(4-nitrophenyl)carbamothioyl]propanamide
CID 2983548
(3E)-N-(4-chlorophenyl)-2,2-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]butanamide
CID 15681749
2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanoic acid
CID 61263044
2-fluoroethyl N-(4-nitrophenyl)carbamate
CID 86209590
1-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(4-nitrophenyl)urea
CID 103916786
3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
CID 107701407

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide (CID 113307498) is 3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide is CC(C)(CN)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide?
The InChIKey is FDXYMYAMWGXKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2,7-12)10(15)13-8-3-5-9(6-4-8)14(16)17/h3-6H,7,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide?
3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide has a molecular weight of 237.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide is sourced from PubChem (CID 113307498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).