N'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide

C20H24N4O3 — CID 109481193

IUPACN'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide
SMILESC/N=C(\NCc1ccccc1[N+](=O)[O-])N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C20H24N4O3/c1-15-7-3-5-9-17(15)19-14-23(11-12-27-19)20(21-2)22-13-16-8-4-6-10-18(16)24(25)26/h3-10,19H,11-14H2,1-2H3,(H,21,22)
InChIKeyXKYQDYJHSIEPCO-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.05
Rot. Bonds4

About N'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide

N'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide (PubChem CID 109481193) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide
PubChem CID109481193
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide
SMILESC/N=C(\NCc1ccccc1[N+](=O)[O-])N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C20H24N4O3/c1-15-7-3-5-9-17(15)19-14-23(11-12-27-19)20(21-2)22-13-16-8-4-6-10-18(16)24(25)26/h3-10,19H,11-14H2,1-2H3,(H,21,22)
InChIKeyXKYQDYJHSIEPCO-UHFFFAOYSA-N
XLogP3.05
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2-methylphenyl)-N'-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109480055
N-[(2-ethoxy-3-pyridinyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481438
N'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480348
N-[(2-hydroxy-5-methoxyphenyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481357
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N'-methyl-2-(2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide
CID 109480828
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480916
N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide
CID 109481243
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480572
N-(4-fluorophenyl)-2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]acetamide
CID 109479507

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide (CID 109481193) is N'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide is C/N=C(\NCc1ccccc1[N+](=O)[O-])N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide?
The InChIKey is XKYQDYJHSIEPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15-7-3-5-9-17(15)19-14-23(11-12-27-19)20(21-2)22-13-16-8-4-6-10-18(16)24(25)26/h3-10,19H,11-14H2,1-2H3,(H,21,22).
What are the key properties of N'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide?
N'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide has a molecular weight of 368.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 109481193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).