(2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide

C19H22N2O4 — CID 93488024

IUPAC(2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCc1c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O4/c1-12(2)15-8-5-6-11-18(15)25-14(4)19(22)20-16-9-7-10-17(13(16)3)21(23)24/h5-12,14H,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyKASAXHDFQCNWND-AWEZNQCLSA-N
MW342.40 g/mol
LogP4.43
Rot. Bonds6

About (2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide

(2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 93488024) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID93488024
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCc1c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O4/c1-12(2)15-8-5-6-11-18(15)25-14(4)19(22)20-16-9-7-10-17(13(16)3)21(23)24/h5-12,14H,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyKASAXHDFQCNWND-AWEZNQCLSA-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

(2R)-N-(2-methyl-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100746908
2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266753
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide
CID 17358897
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 24500733
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43875640
methyl 3-nitro-4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]oxybenzoate
CID 9003304
2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266594
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205343

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide (CID 93488024) is (2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide is Cc1c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cccc1[N+](=O)[O-].
What is the InChIKey of (2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is KASAXHDFQCNWND-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(2)15-8-5-6-11-18(15)25-14(4)19(22)20-16-9-7-10-17(13(16)3)21(23)24/h5-12,14H,1-4H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide?
(2S)-N-(2-methyl-3-nitrophenyl)-2-(2-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 (2S)-N-(2-methyl-3-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 93488024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).