(2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide

C18H18N2O5 — CID 8733195

IUPAC(2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H18N2O5/c1-13(18(22)19-10-9-14-5-3-2-4-6-14)25-17-8-7-16(20(23)24)11-15(17)12-21/h2-8,11-13H,9-10H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyLGTVIDOXCQJXHW-CYBMUJFWSA-N
MW342.35 g/mol
LogP2.53
Rot. Bonds8

About (2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide

(2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide (PubChem CID 8733195) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide
PubChem CID8733195
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H18N2O5/c1-13(18(22)19-10-9-14-5-3-2-4-6-14)25-17-8-7-16(20(23)24)11-15(17)12-21/h2-8,11-13H,9-10H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyLGTVIDOXCQJXHW-CYBMUJFWSA-N
XLogP2.53
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)propanamide
CID 8733172
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-methoxy-5-nitrobenzoate
CID 8994246
(2S)-N-(2,6-difluorophenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733285
(2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733164
(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7762594
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(3-nitrophenoxy)propanamide
CID 7865303
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 18103073
(2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947335
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733327
N-ethyl-2-[2-(ethylaminomethyl)-4-nitrophenoxy]propanamide
CID 43472697
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 8951770
(2R)-2-(2-formyl-4-nitrophenoxy)-N-(4-methylphenyl)-2-phenylacetamide
CID 8534757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide?
The IUPAC name of (2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide (CID 8733195) is (2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for (2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide?
The canonical SMILES for (2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide is C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)NCCc1ccccc1.
What is the InChIKey of (2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide?
The InChIKey is LGTVIDOXCQJXHW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-13(18(22)19-10-9-14-5-3-2-4-6-14)25-17-8-7-16(20(23)24)11-15(17)12-21/h2-8,11-13H,9-10H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide?
(2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide has a molecular weight of 342.35 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 8733195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).