(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide

C19H22N2O4 — CID 9239004

IUPAC(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22N2O4/c1-12(2)15-6-9-17(10-7-15)25-14(4)19(22)20-18-11-16(21(23)24)8-5-13(18)3/h5-12,14H,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyDIIJBQUHQODNAX-CQSZACIVSA-N
MW342.40 g/mol
LogP4.43
Rot. Bonds6

About (2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide

(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 9239004) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID9239004
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22N2O4/c1-12(2)15-6-9-17(10-7-15)25-14(4)19(22)20-18-11-16(21(23)24)8-5-13(18)3/h5-12,14H,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyDIIJBQUHQODNAX-CQSZACIVSA-N
XLogP4.43
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 ≤ 54.43
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
2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17046256
(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
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
CID 4949937
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide (CID 9239004) is (2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of (2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is DIIJBQUHQODNAX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(2)15-6-9-17(10-7-15)25-14(4)19(22)20-18-11-16(21(23)24)8-5-13(18)3/h5-12,14H,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide?
(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 342.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 9239004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).