N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide

C18H20N4O3 — CID 132838246

IUPACN'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide
SMILESO=[N+]([O-])c1ccc(N/C(=N/Cc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C18H20N4O3/c23-22(24)17-8-6-16(7-9-17)20-18(21-10-12-25-13-11-21)19-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,19,20)
InChIKeyYZPVYIJCGRVSFI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.90
Rot. Bonds4

About N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide

N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide (PubChem CID 132838246) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide
PubChem CID132838246
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide
SMILESO=[N+]([O-])c1ccc(N/C(=N/Cc2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C18H20N4O3/c23-22(24)17-8-6-16(7-9-17)20-18(21-10-12-25-13-11-21)19-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,19,20)
InChIKeyYZPVYIJCGRVSFI-UHFFFAOYSA-N
XLogP2.90
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.90
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'}

Analyze N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-nitrophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide
CID 23228475
N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide
CID 135556242
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N-(3-morpholin-4-ylpropyl)-N'-[(4-nitrophenyl)methyl]pyrrolidine-1-carboximidamide
CID 110956062
(3S)-3-benzyl-N-(4-nitrophenyl)morpholine-4-carboxamide
CID 99814447
N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-[(4-nitrophenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111367718
N'-benzyl-4-(furan-2-carbonyl)-N-[(4-nitrophenyl)methyl]piperazine-1-carboximidamide
CID 111168249
4-acetyl-N-(3-morpholin-4-ylpropyl)-N'-[(4-nitrophenyl)methyl]piperazine-1-carboximidamide
CID 110963289
N-ethyl-4-(morpholine-4-carbonyl)-N'-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111346482
N'-benzyl-N-[(4-nitrophenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206149
N'-benzyl-N-(4-nitroanilino)benzenecarboximidamide
CID 3091805
N-ethyl-4-(furan-2-carbonyl)-N'-[(4-nitrophenyl)methyl]piperazine-1-carboximidamide
CID 111167037

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide?
The IUPAC name of N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide (CID 132838246) is N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide is O=[N+]([O-])c1ccc(N/C(=N/Cc2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide?
The InChIKey is YZPVYIJCGRVSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-22(24)17-8-6-16(7-9-17)20-18(21-10-12-25-13-11-21)19-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,19,20).
What are the key properties of N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide?
N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide has a molecular weight of 340.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 132838246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).