N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide

C16H22N4O6 — CID 8711481

IUPACN-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(=O)N1CCOCC1
InChIInChI=1S/C16H22N4O6/c1-18(11-16(22)19-5-7-26-8-6-19)10-15(21)17-13-4-3-12(20(23)24)9-14(13)25-2/h3-4,9H,5-8,10-11H2,1-2H3,(H,17,21)
InChIKeyPUXYFPMZPQDNQI-UHFFFAOYSA-N
MW366.37 g/mol
LogP0.33
Rot. Bonds7

About N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide

N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide (PubChem CID 8711481) has the molecular formula C16H22N4O6 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
PubChem CID8711481
Molecular FormulaC16H22N4O6
Molecular Weight366.37 g/mol
Exact Mass366.15
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(=O)N1CCOCC1
InChIInChI=1S/C16H22N4O6/c1-18(11-16(22)19-5-7-26-8-6-19)10-15(21)17-13-4-3-12(20(23)24)9-14(13)25-2/h3-4,9H,5-8,10-11H2,1-2H3,(H,17,21)
InChIKeyPUXYFPMZPQDNQI-UHFFFAOYSA-N
XLogP0.33
TPSA114.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 50.33
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

2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 55534143
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 9196683
methyl 4-methyl-3-[[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetyl]amino]benzoate
CID 8711615
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 26429979
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 27204439
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26424871
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60510266
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 55571800
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 38300922
4-(2-methoxy-4-nitroanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
CID 18858561
3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 33403782

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide (CID 8711481) is N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(=O)N1CCOCC1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
The InChIKey is PUXYFPMZPQDNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O6/c1-18(11-16(22)19-5-7-26-8-6-19)10-15(21)17-13-4-3-12(20(23)24)9-14(13)25-2/h3-4,9H,5-8,10-11H2,1-2H3,(H,17,21).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide?
N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide has a molecular weight of 366.37 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 8711481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).