2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide

C15H21N3O5 — CID 8900035

IUPAC2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H21N3O5/c1-10-7-17(8-11(2)23-10)9-15(19)16-13-5-4-12(18(20)21)6-14(13)22-3/h4-6,10-11H,7-9H2,1-3H3,(H,16,19)/t10-,11-/m0/s1
InChIKeyREGRNASDONBCDD-QWRGUYRKSA-N
MW323.35 g/mol
LogP1.65
Rot. Bonds5

About 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide

2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 8900035) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID8900035
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H21N3O5/c1-10-7-17(8-11(2)23-10)9-15(19)16-13-5-4-12(18(20)21)6-14(13)22-3/h4-6,10-11H,7-9H2,1-3H3,(H,16,19)/t10-,11-/m0/s1
InChIKeyREGRNASDONBCDD-QWRGUYRKSA-N
XLogP1.65
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.65
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

2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7966759
(2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 7477454
N-(2,5-dimethoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653031
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175
N-(2-methoxy-4-nitrophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713097
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide
CID 19516847
N-(2-methoxy-4-nitrophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 55355667
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 19580192
N-(2-methoxy-4-nitrophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277764
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7610599

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide (CID 8900035) is 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is REGRNASDONBCDD-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-10-7-17(8-11(2)23-10)9-15(19)16-13-5-4-12(18(20)21)6-14(13)22-3/h4-6,10-11H,7-9H2,1-3H3,(H,16,19)/t10-,11-/m0/s1.
What are the key properties of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide?
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 8900035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).