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

C18H17N5O3 — CID 135556242

IUPACN-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide
SMILESN#Cc1ccc(N/C(=N\c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1
InChIInChI=1S/C18H17N5O3/c19-13-14-1-3-15(4-2-14)20-18(22-9-11-26-12-10-22)21-16-5-7-17(8-6-16)23(24)25/h1-8H,9-12H2,(H,20,21)
InChIKeyYWZRXPALTHJBMU-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.90
Rot. Bonds3

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

N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide (PubChem CID 135556242) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide
PubChem CID135556242
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide
SMILESN#Cc1ccc(N/C(=N\c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1
InChIInChI=1S/C18H17N5O3/c19-13-14-1-3-15(4-2-14)20-18(22-9-11-26-12-10-22)21-16-5-7-17(8-6-16)23(24)25/h1-8H,9-12H2,(H,20,21)
InChIKeyYWZRXPALTHJBMU-UHFFFAOYSA-N
XLogP2.90
TPSA103.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide
CID 132838246
N-(4-nitrophenyl)-N'-(trifluoromethylsulfonyl)morpholine-4-carboximidamide
CID 23228475
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
CID 43386590
N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide
CID 17383253
(Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide
CID 108852937
N'-(4-bromophenyl)-1-dimorpholin-4-ylphosphoryl-N-(4-nitroanilino)methanimidamide
CID 3857893
1-morpholin-4-yl-2-(4-nitrophenyl)ethanethione
CID 46887259
2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate
CID 177431935
2-(2-morpholin-4-ylethyl)-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 134086224
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 4282639
3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine
CID 100954106

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide (CID 135556242) is N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide is N#Cc1ccc(N/C(=N\c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide?
The InChIKey is YWZRXPALTHJBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c19-13-14-1-3-15(4-2-14)20-18(22-9-11-26-12-10-22)21-16-5-7-17(8-6-16)23(24)25/h1-8H,9-12H2,(H,20,21).
What are the key properties of N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide?
N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide has a molecular weight of 351.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 135556242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).