(2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide

C14H19N3O4 — CID 75509755

IUPAC(2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-9-6-12(4-5-13(9)17(19)20)15-14(18)16-7-10(2)21-11(3)8-16/h4-6,10-11H,7-8H2,1-3H3,(H,15,18)/t10-,11+
InChIKeyDCKZSMAGHPHJRZ-PHIMTYICSA-N
MW293.32 g/mol
LogP2.54
Rot. Bonds2

About (2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide

(2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide (PubChem CID 75509755) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide
PubChem CID75509755
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-9-6-12(4-5-13(9)17(19)20)15-14(18)16-7-10(2)21-11(3)8-16/h4-6,10-11H,7-8H2,1-3H3,(H,15,18)/t10-,11+
InChIKeyDCKZSMAGHPHJRZ-PHIMTYICSA-N
XLogP2.54
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 51944457
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
4-[(1R)-1-hydroxyethyl]-N-(3-methyl-4-nitrophenyl)piperidine-1-carboxamide
CID 99777913
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(3aS,6aR)-2-[(3-methyl-4-nitrophenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122088998
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3-methyl-4-nitrobenzamide
CID 42944721
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
5-methyl-1-[(4-methyl-3-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122101780
5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 104959655
5-[(3-methyl-4-nitrophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688379

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide?
The IUPAC name of (2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide (CID 75509755) is (2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide?
The canonical SMILES for (2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide is Cc1cc(NC(=O)N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-].
What is the InChIKey of (2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide?
The InChIKey is DCKZSMAGHPHJRZ-PHIMTYICSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-6-12(4-5-13(9)17(19)20)15-14(18)16-7-10(2)21-11(3)8-16/h4-6,10-11H,7-8H2,1-3H3,(H,15,18)/t10-,11+.
What are the key properties of (2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide?
(2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-N-(3-methyl-4-nitrophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 75509755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).