(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide

C16H16N2O4 — CID 897896

IUPAC(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-11(12-6-4-3-5-7-12)16(19)17-14-10-13(18(20)21)8-9-15(14)22-2/h3-11H,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyBJPGMFNKWVKACT-NSHDSACASA-N
MW300.31 g/mol
LogP3.35
Rot. Bonds5

About (2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide

(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide (PubChem CID 897896) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
PubChem CID897896
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-11(12-6-4-3-5-7-12)16(19)17-14-10-13(18(20)21)8-9-15(14)22-2/h3-11H,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyBJPGMFNKWVKACT-NSHDSACASA-N
XLogP3.35
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.35
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

N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782119
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (3R)-3-phenylbutanoate
CID 7265743
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 8753853
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
CID 7265744
N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide
CID 60638823
2-(benzhydrylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9101632
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9050636
N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
CID 2931263
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43875640
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
N-benzhydryl-2-methoxy-5-nitroaniline
CID 2489016

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide?
The IUPAC name of (2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide (CID 897896) is (2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide?
The InChIKey is BJPGMFNKWVKACT-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11(12-6-4-3-5-7-12)16(19)17-14-10-13(18(20)21)8-9-15(14)22-2/h3-11H,1-2H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide?
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide has a molecular weight of 300.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide is sourced from PubChem (CID 897896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).