N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide

C14H19N3O6 — CID 110444205

IUPACN-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide
SMILESCOc1cc(NC(=O)CN2CCOCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C14H19N3O6/c1-21-12-7-10(11(17(19)20)8-13(12)22-2)15-14(18)9-16-3-5-23-6-4-16/h7-8H,3-6,9H2,1-2H3,(H,15,18)
InChIKeyXKADYLOHXWHYAV-UHFFFAOYSA-N
MW325.32 g/mol
LogP0.88
Rot. Bonds6

About N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide

N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide (PubChem CID 110444205) has the molecular formula C14H19N3O6 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide
PubChem CID110444205
Molecular FormulaC14H19N3O6
Molecular Weight325.32 g/mol
Exact Mass325.13
IUPAC NameN-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide
SMILESCOc1cc(NC(=O)CN2CCOCC2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C14H19N3O6/c1-21-12-7-10(11(17(19)20)8-13(12)22-2)15-14(18)9-16-3-5-23-6-4-16/h7-8H,3-6,9H2,1-2H3,(H,15,18)
InChIKeyXKADYLOHXWHYAV-UHFFFAOYSA-N
XLogP0.88
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5344300
N-(4-bromo-2-nitrophenyl)-2-morpholin-4-ylacetamide
CID 2960367
N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide
CID 2887867
N-(5-ethyl-2-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 154733696
methyl N-(4,5-dimethoxy-2-nitrophenyl)carbamate
CID 110459513
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711426
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 15945394
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide;hydrochloride
CID 23323553
N-[4-methoxy-5-[(4-methylpiperidin-1-yl)methoxy]-2-nitrophenyl]acetamide
CID 67106627
3-(4,5-dimethoxy-2-nitrophenyl)-1,1-diethylurea
CID 110445111
1-[4-[4-(difluoromethoxy)-5-methoxy-2-nitrobenzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671530

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide (CID 110444205) is N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide is COc1cc(NC(=O)CN2CCOCC2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is XKADYLOHXWHYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6/c1-21-12-7-10(11(17(19)20)8-13(12)22-2)15-14(18)9-16-3-5-23-6-4-16/h7-8H,3-6,9H2,1-2H3,(H,15,18).
What are the key properties of N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide?
N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 325.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-nitrophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 110444205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).