2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide

C12H16N2O3 — CID 4927442

IUPAC2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(NC(=O)C(C)(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O3/c1-8-9(13-11(15)12(2,3)4)6-5-7-10(8)14(16)17/h5-7H,1-4H3,(H,13,15)
InChIKeyXRTWVKRGNWFODY-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.89
Rot. Bonds2

About 2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide

2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide (PubChem CID 4927442) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
PubChem CID4927442
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(NC(=O)C(C)(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O3/c1-8-9(13-11(15)12(2,3)4)6-5-7-10(8)14(16)17/h5-7H,1-4H3,(H,13,15)
InChIKeyXRTWVKRGNWFODY-UHFFFAOYSA-N
XLogP2.89
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,2,3,3-tetrafluoro-N-(2-methyl-3-nitrophenyl)propanamide
CID 103731946
(2-methyl-3-nitrophenyl)urea
CID 22416531
N-(2-methyl-3-nitrophenyl)hydroxylamine
CID 5489549
N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide
CID 174454415
(E)-N-(2-methyl-3-nitrophenyl)but-2-enamide
CID 110459718
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
2-(2-methyl-3-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168600567
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
4-methyl-N-(2-methyl-3-nitrophenyl)pentanamide
CID 4800327
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
methyl 3-(2-methyl-3-nitroanilino)propanoate
CID 63076226

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide (CID 4927442) is 2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide is Cc1c(NC(=O)C(C)(C)C)cccc1[N+](=O)[O-].
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide?
The InChIKey is XRTWVKRGNWFODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-9(13-11(15)12(2,3)4)6-5-7-10(8)14(16)17/h5-7H,1-4H3,(H,13,15).
What are the key properties of 2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide?
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide has a molecular weight of 236.27 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 4927442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).