N-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide

C13H17N3O5 — CID 2978122

IUPACN-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C13H17N3O5/c1-20-12-8-10(16(18)19)2-3-11(12)14-13(17)9-15-4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,17)
InChIKeyUWWHXPCADURMBD-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.87
Rot. Bonds5

About N-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide

N-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide (PubChem CID 2978122) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide
PubChem CID2978122
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCOCC1
InChIInChI=1S/C13H17N3O5/c1-20-12-8-10(16(18)19)2-3-11(12)14-13(17)9-15-4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,17)
InChIKeyUWWHXPCADURMBD-UHFFFAOYSA-N
XLogP0.87
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.87
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

Ace-011
CID 2877953
4-(2,5-Diethoxy-4-nitrophenyl)morpholine
CID 66571
4-[(2-Methoxy-4-nitrophenyl)amino]-4-oxo-2-butenoic acid
CID 5736340
Butanamide, 2-((2-methoxy-4-nitrophenyl)azo)-N-(2-methoxyphenyl)-3-oxo-
CID 22829
2-Methoxy-4-(4-methylpiperazin-1-yl)aniline
CID 20136253
N-(2-Methoxyphenyl)-2-morpholinoacetamide
CID 684240
2-Acetylamino-5-nitroanisole
CID 66729
4-Morpholineacetamide, N-(3-methoxyphenyl)-
CID 218187
7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 2763830
1-(2-Methoxy-4-nitrophenyl)piperidine
CID 2825431
2-((2-Methoxy-4-nitrophenyl)amino)ethanol
CID 3017645
2-Methoxy-4-morpholinoaniline hydrochloride
CID 21144261

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide (CID 2978122) is N-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is UWWHXPCADURMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-20-12-8-10(16(18)19)2-3-11(12)14-13(17)9-15-4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,17).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide?
N-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 295.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2978122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).