N-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline

C25H25N3O3 — CID 135052252

IUPACN-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline
SMILESO=[N+]([O-])c1ccc(CN(/C(=C/c2ccccc2)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c29-28(30)24-13-11-22(12-14-24)20-27(23-9-5-2-6-10-23)25(26-15-17-31-18-16-26)19-21-7-3-1-4-8-21/h1-14,19H,15-18,20H2/b25-19+
InChIKeyWGLFEZJIGNOEHN-NCELDCMTSA-N
MW415.49 g/mol
LogP4.93
Rot. Bonds7

About N-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline

N-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline (PubChem CID 135052252) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline
PubChem CID135052252
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline
SMILESO=[N+]([O-])c1ccc(CN(/C(=C/c2ccccc2)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c29-28(30)24-13-11-22(12-14-24)20-27(23-9-5-2-6-10-23)25(26-15-17-31-18-16-26)19-21-7-3-1-4-8-21/h1-14,19H,15-18,20H2/b25-19+
InChIKeyWGLFEZJIGNOEHN-NCELDCMTSA-N
XLogP4.93
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
CID 5170165
(E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide
CID 46046494
1-morpholin-4-yl-2-(4-nitrophenyl)ethanethione
CID 46887259
N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 144741604
N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide
CID 108959951
N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide
CID 132838246
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092
methyl 4-[[3-fluoro-N-(morpholine-4-carbonyl)anilino]methyl]benzoate;methyl 4-[(3-fluoro-N-(4-nitrophenoxy)carbonylanilino)methyl]benzoate
CID 175784592
(Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide
CID 92896876
N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
CID 41161693
2-isocyano-1-morpholin-4-yl-3-(4-nitrophenyl)propan-1-one
CID 134865492
N-[3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 1163109

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline?
The IUPAC name of N-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline (CID 135052252) is N-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline.
What is the SMILES notation for N-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline?
The canonical SMILES for N-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline is O=[N+]([O-])c1ccc(CN(/C(=C/c2ccccc2)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline?
The InChIKey is WGLFEZJIGNOEHN-NCELDCMTSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-28(30)24-13-11-22(12-14-24)20-27(23-9-5-2-6-10-23)25(26-15-17-31-18-16-26)19-21-7-3-1-4-8-21/h1-14,19H,15-18,20H2/b25-19+.
What are the key properties of N-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline?
N-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline has a molecular weight of 415.49 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-morpholin-4-yl-2-phenylethenyl]-N-[(4-nitrophenyl)methyl]aniline is sourced from PubChem (CID 135052252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).