2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide

C20H24N2O4 — CID 17046256

IUPAC2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24N2O4/c1-13-6-9-16(22(24)25)12-18(13)21-19(23)14(2)26-17-10-7-15(8-11-17)20(3,4)5/h6-12,14H,1-5H3,(H,21,23)
InChIKeyFHQMIRVQRCDAHM-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.61
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide

2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide (PubChem CID 17046256) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
PubChem CID17046256
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24N2O4/c1-13-6-9-16(22(24)25)12-18(13)21-19(23)14(2)26-17-10-7-15(8-11-17)20(3,4)5/h6-12,14H,1-5H3,(H,21,23)
InChIKeyFHQMIRVQRCDAHM-UHFFFAOYSA-N
XLogP4.61
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.61
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-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9239004
(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 9236398
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 4944716
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453832
(2S)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453834
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348
(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7231677
N-[4-methyl-3-(propanoylamino)phenyl]-2-(4-nitrophenoxy)propanamide
CID 46761075
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
CID 4949937

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide (CID 17046256) is 2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The InChIKey is FHQMIRVQRCDAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-6-9-16(22(24)25)12-18(13)21-19(23)14(2)26-17-10-7-15(8-11-17)20(3,4)5/h6-12,14H,1-5H3,(H,21,23).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide has a molecular weight of 356.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide is sourced from PubChem (CID 17046256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).