2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide

C12H15N3O4 — CID 78783908

IUPAC2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCC(=O)NC(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C12H15N3O4/c1-7-4-5-10(15(18)19)6-11(7)14-12(17)8(2)13-9(3)16/h4-6,8H,1-3H3,(H,13,16)(H,14,17)
InChIKeyXREKGJPWWIRXCH-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.37
Rot. Bonds4

About 2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide

2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide (PubChem CID 78783908) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide
PubChem CID78783908
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCC(=O)NC(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C12H15N3O4/c1-7-4-5-10(15(18)19)6-11(7)14-12(17)8(2)13-9(3)16/h4-6,8H,1-3H3,(H,13,16)(H,14,17)
InChIKeyXREKGJPWWIRXCH-UHFFFAOYSA-N
XLogP1.37
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.37
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

2,3-dimethyl-4-(2-methyl-5-nitroanilino)-4-oxobutanoic acid
CID 103496518
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 4944716
(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9239004
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17046256
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348
2-cyano-N-(2-methyl-5-nitrophenyl)butanamide
CID 114009708
(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 9236398
(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide
CID 9274186

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide?
The IUPAC name of 2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide (CID 78783908) is 2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide?
The canonical SMILES for 2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide is CC(=O)NC(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide?
The InChIKey is XREKGJPWWIRXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-4-5-10(15(18)19)6-11(7)14-12(17)8(2)13-9(3)16/h4-6,8H,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide?
2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide has a molecular weight of 265.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-methyl-5-nitrophenyl)propanamide is sourced from PubChem (CID 78783908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).