2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide

C16H16N2O4 — CID 23790591

IUPAC2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-11-10-13(18(20)21)8-9-14(11)17-16(19)15(22-2)12-6-4-3-5-7-12/h3-10,15H,1-2H3,(H,17,19)
InChIKeyUCAYIRGWJBURMH-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.23
Rot. Bonds5

About 2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide

2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide (PubChem CID 23790591) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
PubChem CID23790591
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-11-10-13(18(20)21)8-9-14(11)17-16(19)15(22-2)12-6-4-3-5-7-12/h3-10,15H,1-2H3,(H,17,19)
InChIKeyUCAYIRGWJBURMH-UHFFFAOYSA-N
XLogP3.23
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
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

N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide
CID 2891424
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 7183598
2-methoxy-N-(4-nitrophenyl)-2-phenylacetamide
CID 2828422
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453832
(2S)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453834
1-[(2R)-2-hydroxy-2-phenylethyl]-3-(2-methyl-4-nitrophenyl)urea
CID 99702023
(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7231677
2-(3-aminophenyl)sulfanyl-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
CID 18894428
benzhydryl 4-(2-methyl-4-nitroanilino)-4-oxobutanoate
CID 2940631
(2R)-2-amino-3-methyl-N-(2-methyl-4-nitrophenyl)butanamide
CID 79011732
1-(2-methyl-4-nitrophenyl)-3-propan-2-ylurea
CID 113222207
methyl 3-[[(2R)-2-methoxy-2-phenylacetyl]amino]-5-nitrobenzoate
CID 95630341

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide?
The IUPAC name of 2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide (CID 23790591) is 2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide.
What is the SMILES notation for 2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide?
The canonical SMILES for 2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide is COC(C(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1.
What is the InChIKey of 2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide?
The InChIKey is UCAYIRGWJBURMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-10-13(18(20)21)8-9-14(11)17-16(19)15(22-2)12-6-4-3-5-7-12/h3-10,15H,1-2H3,(H,17,19).
What are the key properties of 2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide?
2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide has a molecular weight of 300.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide is sourced from PubChem (CID 23790591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).