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

C17H18N2O4 — CID 2932932

IUPACN-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O4/c1-3-16(23-13-7-5-4-6-8-13)17(20)18-14-10-9-12(2)11-15(14)19(21)22/h4-11,16H,3H2,1-2H3,(H,18,20)
InChIKeyWKAWXRIUKQNKJT-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.70
Rot. Bonds6

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

N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide (PubChem CID 2932932) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide
PubChem CID2932932
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O4/c1-3-16(23-13-7-5-4-6-8-13)17(20)18-14-10-9-12(2)11-15(14)19(21)22/h4-11,16H,3H2,1-2H3,(H,18,20)
InChIKeyWKAWXRIUKQNKJT-UHFFFAOYSA-N
XLogP3.70
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.70
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

(2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide
CID 7409386
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725
N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
CID 2931263
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
CID 4949937
(2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide
CID 28575679
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233372
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
3-methyl-4-(2-phenoxybutanoylamino)benzoic acid
CID 17342639
(2R)-2-(4-ethoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 7594261
N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284433
3-(ethylamino)-2-methyl-N-(4-methyl-2-nitrophenyl)propanamide
CID 62853982

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide?
The IUPAC name of N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide (CID 2932932) is N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide.
What is the SMILES notation for N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide?
The canonical SMILES for N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1ccc(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide?
The InChIKey is WKAWXRIUKQNKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-16(23-13-7-5-4-6-8-13)17(20)18-14-10-9-12(2)11-15(14)19(21)22/h4-11,16H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide?
N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide has a molecular weight of 314.34 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide is sourced from PubChem (CID 2932932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).