2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide

C15H21N3O4 — CID 8900115

IUPAC2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C15H21N3O4/c1-10-5-4-6-13(18(20)21)15(10)16-14(19)9-17-7-11(2)22-12(3)8-17/h4-6,11-12H,7-9H2,1-3H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyILPSKIRTNHTIMO-VXGBXAGGSA-N
MW307.35 g/mol
LogP1.95
Rot. Bonds4

About 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide (PubChem CID 8900115) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide
PubChem CID8900115
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C15H21N3O4/c1-10-5-4-6-13(18(20)21)15(10)16-14(19)9-17-7-11(2)22-12(3)8-17/h4-6,11-12H,7-9H2,1-3H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyILPSKIRTNHTIMO-VXGBXAGGSA-N
XLogP1.95
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
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-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8930876
N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide
CID 13478077
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-nitrophenyl]acetamide
CID 9116895
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-nitrophenyl]acetamide
CID 9116893
2-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917312
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2653141
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 120772304
N-(2,6-dimethylphenyl)-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 22273392
trans-[2-(2-methyl-6-nitroanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776755
methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate
CID 7714437
N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935980
2-(1-adamantylsulfanyl)-N-(2-methyl-6-nitrophenyl)acetamide
CID 8513112

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide?
The IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide (CID 8900115) is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide?
The canonical SMILES for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide is Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide?
The InChIKey is ILPSKIRTNHTIMO-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-5-4-6-13(18(20)21)15(10)16-14(19)9-17-7-11(2)22-12(3)8-17/h4-6,11-12H,7-9H2,1-3H3,(H,16,19)/t11-,12-/m1/s1.
What are the key properties of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide?
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide is sourced from PubChem (CID 8900115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).