(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide

C14H19N3O5 — CID 9275818

IUPAC(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O5/c1-10(16-5-7-22-8-6-16)14(18)15-12-4-3-11(21-2)9-13(12)17(19)20/h3-4,9-10H,5-8H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyIBHYKPXBFUFMRZ-JTQLQIEISA-N
MW309.32 g/mol
LogP1.26
Rot. Bonds5

About (2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide

(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide (PubChem CID 9275818) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide
PubChem CID9275818
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O5/c1-10(16-5-7-22-8-6-16)14(18)15-12-4-3-11(21-2)9-13(12)17(19)20/h3-4,9-10H,5-8H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyIBHYKPXBFUFMRZ-JTQLQIEISA-N
XLogP1.26
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(azepan-1-yl)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 46630887
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 87019587
(2R)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 100842888
(2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 40741134
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 120771478
(2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 2654021
N-(4-methoxy-2-nitrophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 46631289
N-(4-methoxy-2-nitrophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456709
N-(4-methoxy-2-nitrophenyl)-2-(methylamino)propanamide
CID 60676291
N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 42948093
1-[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504490
4-(4-methoxy-2-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496515

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide?
The IUPAC name of (2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide (CID 9275818) is (2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide is COc1ccc(NC(=O)[C@H](C)N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of (2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide?
The InChIKey is IBHYKPXBFUFMRZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O5/c1-10(16-5-7-22-8-6-16)14(18)15-12-4-3-11(21-2)9-13(12)17(19)20/h3-4,9-10H,5-8H2,1-2H3,(H,15,18)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide?
(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide has a molecular weight of 309.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 9275818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).