N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide

C14H20N3O5+ — CID 8903926

IUPACN-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCOc1cc(NC(=O)C[NH+]2CCOCC2)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O5/c1-10-7-12(17(19)20)13(21-2)8-11(10)15-14(18)9-16-3-5-22-6-4-16/h7-8H,3-6,9H2,1-2H3,(H,15,18)/p+1
InChIKeyBYWJBEFZNROLCQ-UHFFFAOYSA-O
MW310.33 g/mol
LogP-0.23
Rot. Bonds5

About N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide

N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 8903926) has the molecular formula C14H20N3O5+ and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID8903926
Molecular FormulaC14H20N3O5+
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC NameN-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCOc1cc(NC(=O)C[NH+]2CCOCC2)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O5/c1-10-7-12(17(19)20)13(21-2)8-11(10)15-14(18)9-16-3-5-22-6-4-16/h7-8H,3-6,9H2,1-2H3,(H,15,18)/p+1
InChIKeyBYWJBEFZNROLCQ-UHFFFAOYSA-O
XLogP-0.23
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 5-0.23
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

2-(azepan-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 8896042
ethyl 1-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931511
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711426
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8900026
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-ethoxyacetate
CID 4874977
[2-(tert-butylamino)-2-oxoethyl]-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 8756805
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide
CID 8973030
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3628825
2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 9098737
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 3970477
N-(4-amino-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6969782

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide (CID 8903926) is N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide is COc1cc(NC(=O)C[NH+]2CCOCC2)c(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is BYWJBEFZNROLCQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19N3O5/c1-10-7-12(17(19)20)13(21-2)8-11(10)15-14(18)9-16-3-5-22-6-4-16/h7-8H,3-6,9H2,1-2H3,(H,15,18)/p+1.
What are the key properties of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide?
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 310.33 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 8903926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).