(2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide

C15H21N3O4 — CID 99857591

IUPAC(2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide
SMILESCC[C@]1(C)CN(C(=O)NCc2ccccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C15H21N3O4/c1-3-15(2)11-17(8-9-22-15)14(19)16-10-12-6-4-5-7-13(12)18(20)21/h4-7H,3,8-11H2,1-2H3,(H,16,19)/t15-/m1/s1
InChIKeyKUNRUIMZSDYCNK-OAHLLOKOSA-N
MW307.35 g/mol
LogP2.31
Rot. Bonds4

About (2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide

(2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide (PubChem CID 99857591) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide
PubChem CID99857591
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name(2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide
SMILESCC[C@]1(C)CN(C(=O)NCc2ccccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C15H21N3O4/c1-3-15(2)11-17(8-9-22-15)14(19)16-10-12-6-4-5-7-13(12)18(20)21/h4-7H,3,8-11H2,1-2H3,(H,16,19)/t15-/m1/s1
InChIKeyKUNRUIMZSDYCNK-OAHLLOKOSA-N
XLogP2.31
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.31
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

(2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 99825094
(2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide
CID 99824406
N-[(2-nitrophenyl)methyl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
CID 124619332
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
(2-nitrophenyl)methylcarbamic acid
CID 18621803
N-ethyl-3,3-dimethyl-N'-[(2-nitrophenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738874
N'-methyl-N-[(2-nitrophenyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733583
(2R)-N-[2-[(S)-tert-butylsulfinyl]ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 99824844
(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
CID 78979257
2-bromo-2-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 114328572
5,5-dimethyl-3-[(2-nitrophenyl)methyl]-1,3-oxazolidine
CID 151165345
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 87003505

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide (CID 99857591) is (2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide is CC[C@]1(C)CN(C(=O)NCc2ccccc2[N+](=O)[O-])CCO1.
What is the InChIKey of (2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide?
The InChIKey is KUNRUIMZSDYCNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-3-15(2)11-17(8-9-22-15)14(19)16-10-12-6-4-5-7-13(12)18(20)21/h4-7H,3,8-11H2,1-2H3,(H,16,19)/t15-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide?
(2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-methyl-N-[(2-nitrophenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 99857591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).