(2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide

C22H21N3O4 — CID 9345509

IUPAC(2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-15-11-12-20(29-2)19(13-15)24-22(26)21(16-7-4-3-5-8-16)23-17-9-6-10-18(14-17)25(27)28/h3-14,21,23H,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyKSSUOPUBRMRBQB-OAQYLSRUSA-N
MW391.43 g/mol
LogP4.70
Rot. Bonds7

About (2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide

(2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide (PubChem CID 9345509) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide
PubChem CID9345509
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name(2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-15-11-12-20(29-2)19(13-15)24-22(26)21(16-7-4-3-5-8-16)23-17-9-6-10-18(14-17)25(27)28/h3-14,21,23H,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyKSSUOPUBRMRBQB-OAQYLSRUSA-N
XLogP4.70
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.70
H-Bond Donors ≤ 52
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

(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 2632132
(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 9345172
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide
CID 8956638
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide
CID 9274186
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-methoxy-5-nitrobenzoate
CID 46608761
(2R)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 2434114
(2R)-N-(3,4-dimethylphenyl)-2-[(2-methoxy-5-nitrophenyl)carbamothioylamino]-2-phenylacetamide
CID 10027451
2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 17440812
(2R)-N-(2-methoxy-5-methylphenyl)-2-(2-methylbutan-2-ylamino)-2-phenylacetamide
CID 9267285

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide?
The IUPAC name of (2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide (CID 9345509) is (2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide is COc1ccc(C)cc1NC(=O)[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of (2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide?
The InChIKey is KSSUOPUBRMRBQB-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15-11-12-20(29-2)19(13-15)24-22(26)21(16-7-4-3-5-8-16)23-17-9-6-10-18(14-17)25(27)28/h3-14,21,23H,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide?
(2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide has a molecular weight of 391.43 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-methylphenyl)-2-(3-nitroanilino)-2-phenylacetamide is sourced from PubChem (CID 9345509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).