(2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide

C14H19N3O5 — CID 2654021

IUPAC(2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCOCC1
InChIInChI=1S/C14H19N3O5/c1-10(16-5-7-22-8-6-16)14(18)15-12-9-11(17(19)20)3-4-13(12)21-2/h3-4,9-10H,5-8H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyZYIOJLRANXOUPJ-JTQLQIEISA-N
MW309.32 g/mol
LogP1.26
Rot. Bonds5

About (2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide

(2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide (PubChem CID 2654021) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide
PubChem CID2654021
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCOCC1
InChIInChI=1S/C14H19N3O5/c1-10(16-5-7-22-8-6-16)14(18)15-12-9-11(17(19)20)3-4-13(12)21-2/h3-4,9-10H,5-8H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyZYIOJLRANXOUPJ-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

(2S)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 97221207
(2R)-2-[4-[(2R)-1-hydroxypropan-2-yl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 97221210
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 51167725
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2368536
N-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanamide;hydrochloride
CID 2942225
(2S)-2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 100842886
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55852386
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide
CID 47535135
1-[4-[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]piperazin-1-yl]cyclohexane-1-carboxamide
CID 167805562
(2S)-N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 9275818
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 41093099
2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55842357

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide?
The IUPAC name of (2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide (CID 2654021) is (2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCOCC1.
What is the InChIKey of (2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide?
The InChIKey is ZYIOJLRANXOUPJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O5/c1-10(16-5-7-22-8-6-16)14(18)15-12-9-11(17(19)20)3-4-13(12)21-2/h3-4,9-10H,5-8H2,1-2H3,(H,15,18)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide?
(2S)-N-(2-methoxy-5-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-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 2654021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).