N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide

C17H18N2O3 — CID 2891424

IUPACN-(2-methyl-4-nitrophenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-3-15(13-7-5-4-6-8-13)17(20)18-16-10-9-14(19(21)22)11-12(16)2/h4-11,15H,3H2,1-2H3,(H,18,20)
InChIKeyIYGNCDYRSWRRRQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.04
Rot. Bonds5

About N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide

N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide (PubChem CID 2891424) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-2-phenylbutanamide
PubChem CID2891424
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(2-methyl-4-nitrophenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-3-15(13-7-5-4-6-8-13)17(20)18-16-10-9-14(19(21)22)11-12(16)2/h4-11,15H,3H2,1-2H3,(H,18,20)
InChIKeyIYGNCDYRSWRRRQ-UHFFFAOYSA-N
XLogP4.04
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.04
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-dimethylphenyl)-2-phenylbutanamide
CID 2886746
2-methoxy-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
CID 23790591
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 7183598
1-[(2R)-2-hydroxy-2-phenylethyl]-3-(2-methyl-4-nitrophenyl)urea
CID 99702023
3-chloro-2-methyl-N-(2-methyl-4-nitrophenyl)propanamide
CID 62726618
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772205
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453832
(2S)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453834
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
CID 106834917
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] (2R)-2-phenylbutanoate
CID 7811029
2-(3-aminophenyl)sulfanyl-N-(2-methyl-4-nitrophenyl)-2-phenylacetamide
CID 18894428
benzhydryl 4-(2-methyl-4-nitroanilino)-4-oxobutanoate
CID 2940631

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide (CID 2891424) is N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide is CCC(C(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide?
The InChIKey is IYGNCDYRSWRRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-15(13-7-5-4-6-8-13)17(20)18-16-10-9-14(19(21)22)11-12(16)2/h4-11,15H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide?
N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide has a molecular weight of 298.34 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide is sourced from PubChem (CID 2891424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).