(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide

C19H22N2O4 — CID 7816896

IUPAC(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O4/c1-12(2)17-7-5-6-13(3)18(17)20-19(22)14(4)25-16-10-8-15(9-11-16)21(23)24/h5-12,14H,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyAICDHMMYLHRRTC-CQSZACIVSA-N
MW342.40 g/mol
LogP4.43
Rot. Bonds6

About (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide

(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide (PubChem CID 7816896) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide
PubChem CID7816896
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O4/c1-12(2)17-7-5-6-13(3)18(17)20-19(22)14(4)25-16-10-8-15(9-11-16)21(23)24/h5-12,14H,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyAICDHMMYLHRRTC-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

N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide
CID 51191193
2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 53266192
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017144
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 8569313
(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
CID 8779154
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
(2S)-2-(4-nitrophenoxy)-N-(2,4,6-trichlorophenyl)propanamide
CID 7816817
2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
CID 17189238
(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9239004
(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide
CID 9297382
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide (CID 7816896) is (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide is Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide?
The InChIKey is AICDHMMYLHRRTC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(2)17-7-5-6-13(3)18(17)20-19(22)14(4)25-16-10-8-15(9-11-16)21(23)24/h5-12,14H,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide?
(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)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-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 7816896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).