(2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide

C18H18N2O5 — CID 8733164

IUPAC(2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2C=O)c1
InChIInChI=1S/C18H18N2O5/c1-11-4-5-12(2)16(8-11)19-18(22)13(3)25-17-7-6-15(20(23)24)9-14(17)10-21/h4-10,13H,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyOTAARWBQEOLQGW-CYBMUJFWSA-N
MW342.35 g/mol
LogP3.43
Rot. Bonds6

About (2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide

(2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide (PubChem CID 8733164) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
PubChem CID8733164
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2C=O)c1
InChIInChI=1S/C18H18N2O5/c1-11-4-5-12(2)16(8-11)19-18(22)13(3)25-17-7-6-15(20(23)24)9-14(17)10-21/h4-10,13H,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyOTAARWBQEOLQGW-CYBMUJFWSA-N
XLogP3.43
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.43
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

2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 4944716
(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7762594
(2S)-N-(2,4-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947097
(2S)-N-(2,6-difluorophenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733285
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348
(2S)-2-(2-formyl-4-nitrophenoxy)-N-(2-methoxyethyl)propanamide
CID 8733172
(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
methyl 4-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxy-3-nitrobenzoate
CID 9003263
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941358
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733327
(2R)-2-(2-formyl-4-nitrophenoxy)-N-(2-phenylethyl)propanamide
CID 8733195
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide (CID 8733164) is (2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide is Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2C=O)c1.
What is the InChIKey of (2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide?
The InChIKey is OTAARWBQEOLQGW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11-4-5-12(2)16(8-11)19-18(22)13(3)25-17-7-6-15(20(23)24)9-14(17)10-21/h4-10,13H,1-3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide?
(2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide has a molecular weight of 342.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide is sourced from PubChem (CID 8733164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).