3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine

C25H25N5O3 — CID 100954106

IUPAC3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine
SMILESO=[N+]([O-])C(=C(Nc1ccccc1)Nc1ccccc1)/C(=N/c1ccccc1)N1CCOCC1
InChIInChI=1S/C25H25N5O3/c31-30(32)23(25(29-16-18-33-19-17-29)28-22-14-8-3-9-15-22)24(26-20-10-4-1-5-11-20)27-21-12-6-2-7-13-21/h1-15,26-27H,16-19H2/b28-25-
InChIKeyBFDVXUXHOGZSAB-FVDSYPCUSA-N
MW443.51 g/mol
LogP4.72
Rot. Bonds7

About 3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine

3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine (PubChem CID 100954106) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine
PubChem CID100954106
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine
SMILESO=[N+]([O-])C(=C(Nc1ccccc1)Nc1ccccc1)/C(=N/c1ccccc1)N1CCOCC1
InChIInChI=1S/C25H25N5O3/c31-30(32)23(25(29-16-18-33-19-17-29)28-22-14-8-3-9-15-22)24(26-20-10-4-1-5-11-20)27-21-12-6-2-7-13-21/h1-15,26-27H,16-19H2/b28-25-
InChIKeyBFDVXUXHOGZSAB-FVDSYPCUSA-N
XLogP4.72
TPSA92.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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,N'-diphenylmorpholine-4-carboximidamide;hydroiodide
CID 17383253
N-phenylmorpholine-4-carboximidoyl chloride
CID 9361718
CID 146162313
CID 146162313
N-phenylmorpholine-4-carbothioamide
CID 139054920
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide
CID 132838246
4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine
CID 12972641
4-[(E)-2-nitro-1,2-diphenylethenyl]morpholine
CID 14814554
4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine
CID 921984
4-morpholin-4-yl-N,4-diphenylpiperidine-1-carboxamide
CID 110409254
N-(4-cyanophenyl)-N'-(4-nitrophenyl)morpholine-4-carboximidamide
CID 135556242
N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine
CID 1020625

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine?
The IUPAC name of 3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine (CID 100954106) is 3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine.
What is the SMILES notation for 3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine?
The canonical SMILES for 3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine is O=[N+]([O-])C(=C(Nc1ccccc1)Nc1ccccc1)/C(=N/c1ccccc1)N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine?
The InChIKey is BFDVXUXHOGZSAB-FVDSYPCUSA-N. The full InChI is InChI=1S/C25H25N5O3/c31-30(32)23(25(29-16-18-33-19-17-29)28-22-14-8-3-9-15-22)24(26-20-10-4-1-5-11-20)27-21-12-6-2-7-13-21/h1-15,26-27H,16-19H2/b28-25-.
What are the key properties of 3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine?
3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine has a molecular weight of 443.51 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine is sourced from PubChem (CID 100954106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).