N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide

C19H22N2O5 — CID 43875640

IUPACN-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Oc1ccccc1C(C)C
InChIInChI=1S/C19H22N2O5/c1-12(2)15-7-5-6-8-17(15)26-13(3)19(22)20-16-11-14(21(23)24)9-10-18(16)25-4/h5-13H,1-4H3,(H,20,22)
InChIKeyAIHQSPJSMJRVLT-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.13
Rot. Bonds7

About N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide

N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 43875640) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID43875640
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Oc1ccccc1C(C)C
InChIInChI=1S/C19H22N2O5/c1-12(2)15-7-5-6-8-17(15)26-13(3)19(22)20-16-11-14(21(23)24)9-10-18(16)25-4/h5-13H,1-4H3,(H,20,22)
InChIKeyAIHQSPJSMJRVLT-UHFFFAOYSA-N
XLogP4.13
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
(2R)-2-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7762594
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 927147
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564232
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228
(2S)-N-(2-ethoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947212
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43905902
(2R)-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763186
N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 46650196

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide (CID 43875640) is N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Oc1ccccc1C(C)C.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is AIHQSPJSMJRVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12(2)15-7-5-6-8-17(15)26-13(3)19(22)20-16-11-14(21(23)24)9-10-18(16)25-4/h5-13H,1-4H3,(H,20,22).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide?
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 358.39 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 43875640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).