2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide

C19H22N2O4 — CID 46763828

IUPAC2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C19H22N2O4/c1-5-17(25-18-8-6-7-12(2)14(18)4)19(22)20-16-11-15(21(23)24)10-9-13(16)3/h6-11,17H,5H2,1-4H3,(H,20,22)
InChIKeyPGOVPYPGIXBOPV-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.32
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide

2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide (PubChem CID 46763828) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
PubChem CID46763828
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C19H22N2O4/c1-5-17(25-18-8-6-7-12(2)14(18)4)19(22)20-16-11-15(21(23)24)10-9-13(16)3/h6-11,17H,5H2,1-4H3,(H,20,22)
InChIKeyPGOVPYPGIXBOPV-UHFFFAOYSA-N
XLogP4.32
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.32
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

(2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 30393331
2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 46771310
(2S)-2-(2,3-dimethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 99958785
2-(2,4-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 132652338
(2R)-N-(2-chloro-5-nitrophenyl)-2-(2-methylphenoxy)butanamide
CID 92684102
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
CID 4949937
(2S)-N-(2-chloro-5-nitrophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 92678067
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 28577689
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide (CID 46763828) is 2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide is CCC(Oc1cccc(C)c1C)C(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide?
The InChIKey is PGOVPYPGIXBOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-5-17(25-18-8-6-7-12(2)14(18)4)19(22)20-16-11-15(21(23)24)10-9-13(16)3/h6-11,17H,5H2,1-4H3,(H,20,22).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide?
2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide has a molecular weight of 342.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide is sourced from PubChem (CID 46763828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).