(2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide

C14H19N3O5 — CID 7477454

IUPAC(2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C14H19N3O5/c1-9-7-16(8-10(2)22-9)14(18)15-12-5-4-11(17(19)20)6-13(12)21-3/h4-6,9-10H,7-8H2,1-3H3,(H,15,18)/t9-,10-/m1/s1
InChIKeyZABXJRVFUMHSDN-NXEZZACHSA-N
MW309.32 g/mol
LogP2.24
Rot. Bonds3

About (2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide

(2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 7477454) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide
PubChem CID7477454
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C14H19N3O5/c1-9-7-16(8-10(2)22-9)14(18)15-12-5-4-11(17(19)20)6-13(12)21-3/h4-6,9-10H,7-8H2,1-3H3,(H,15,18)/t9-,10-/m1/s1
InChIKeyZABXJRVFUMHSDN-NXEZZACHSA-N
XLogP2.24
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.24
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-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8900035
N-(2-methoxy-4-nitrophenyl)-2,4-dimethylpiperazine-1-carboxamide
CID 154338741
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
4-(3,4-dichlorophenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carboxamide
CID 2956761
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7966759
tert-butyl N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methoxyphenyl]carbamate
CID 94147646
4-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxy-4-nitrophenyl)piperazine-1-carboxamide
CID 17148609
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide
CID 19653667
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide (CID 7477454) is (2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is ZABXJRVFUMHSDN-NXEZZACHSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-9-7-16(8-10(2)22-9)14(18)15-12-5-4-11(17(19)20)6-13(12)21-3/h4-6,9-10H,7-8H2,1-3H3,(H,15,18)/t9-,10-/m1/s1.
What are the key properties of (2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide?
(2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-(2-methoxy-4-nitrophenyl)-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 7477454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).