N-(2,4-dimethyl-6-nitrophenyl)propanamide

C11H14N2O3 — CID 66522913

IUPACN-(2,4-dimethyl-6-nitrophenyl)propanamide
SMILESCCC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-4-10(14)12-11-8(3)5-7(2)6-9(11)13(15)16/h5-6H,4H2,1-3H3,(H,12,14)
InChIKeyHHVSNIFKWHZGRW-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.56
Rot. Bonds3

About N-(2,4-dimethyl-6-nitrophenyl)propanamide

N-(2,4-dimethyl-6-nitrophenyl)propanamide (PubChem CID 66522913) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-(2,4-dimethyl-6-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-6-nitrophenyl)propanamide
PubChem CID66522913
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-(2,4-dimethyl-6-nitrophenyl)propanamide
SMILESCCC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-4-10(14)12-11-8(3)5-7(2)6-9(11)13(15)16/h5-6H,4H2,1-3H3,(H,12,14)
InChIKeyHHVSNIFKWHZGRW-UHFFFAOYSA-N
XLogP2.56
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.56
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

N,2,4-trimethyl-6-nitroaniline
CID 10583519
2-[2-(2,4-dimethyl-6-nitroanilino)-2-oxoethyl]sulfanylbenzoate
CID 7335676
3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide
CID 2940333
4-(butanoylamino)-3-methyl-5-nitrobenzoic acid;titanium;trihydrochloride
CID 175349898
N-[4-(2,4-dimethyl-6-nitrophenoxy)-5-methyl-1,2-oxazol-3-yl]propanamide
CID 177257075
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
4-(butanoylamino)-3-methyl-5-nitrobenzoic acid;trichlorotitanium
CID 175349897
2-[[5-(4-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethyl-6-nitrophenyl)acetamide
CID 92645307
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(2,4-dimethyl-6-nitrophenyl)acetamide
CID 4729731
N-(2-chloro-6-nitrophenyl)propanamide
CID 69018595
2-(4-methyl-2,6-dinitroanilino)butanamide
CID 57083279
4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27782813

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-6-nitrophenyl)propanamide?
The IUPAC name of N-(2,4-dimethyl-6-nitrophenyl)propanamide (CID 66522913) is N-(2,4-dimethyl-6-nitrophenyl)propanamide.
What is the SMILES notation for N-(2,4-dimethyl-6-nitrophenyl)propanamide?
The canonical SMILES for N-(2,4-dimethyl-6-nitrophenyl)propanamide is CCC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(2,4-dimethyl-6-nitrophenyl)propanamide?
The InChIKey is HHVSNIFKWHZGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-4-10(14)12-11-8(3)5-7(2)6-9(11)13(15)16/h5-6H,4H2,1-3H3,(H,12,14).
What are the key properties of N-(2,4-dimethyl-6-nitrophenyl)propanamide?
N-(2,4-dimethyl-6-nitrophenyl)propanamide has a molecular weight of 222.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-6-nitrophenyl)propanamide is sourced from PubChem (CID 66522913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).