N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide

C18H20N2O4 — CID 4949937

IUPACN-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C18H20N2O4/c1-4-17(24-15-9-5-12(2)6-10-15)18(21)19-16-11-14(20(22)23)8-7-13(16)3/h5-11,17H,4H2,1-3H3,(H,19,21)
InChIKeyUSBSFEIARNDIBC-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.01
Rot. Bonds6

About N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide

N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide (PubChem CID 4949937) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
PubChem CID4949937
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C18H20N2O4/c1-4-17(24-15-9-5-12(2)6-10-15)18(21)19-16-11-14(20(22)23)8-7-13(16)3/h5-11,17H,4H2,1-3H3,(H,19,21)
InChIKeyUSBSFEIARNDIBC-UHFFFAOYSA-N
XLogP4.01
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.01
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

2-(2,4-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 132652338
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-methyl-5-nitrophenyl)butanamide
CID 133199760
2-(2,3-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 46763828
2-(2-chlorophenoxy)-N-(2-methyl-5-nitrophenyl)butanamide
CID 46771310
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082545
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide
CID 99133056
(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 9236398
(2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 94019296
(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725
(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9239004
N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
CID 2931263
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7229794

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide (CID 4949937) is N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide?
The InChIKey is USBSFEIARNDIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-17(24-15-9-5-12(2)6-10-15)18(21)19-16-11-14(20(22)23)8-7-13(16)3/h5-11,17H,4H2,1-3H3,(H,19,21).
What are the key properties of N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide?
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide has a molecular weight of 328.37 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 4949937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).