2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol

C18H20N2O4 — CID 156907968

IUPAC2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol
SMILESO=[N+]([O-])c1ccc(C=Cc2ccccc2N(CCO)CCO)cc1
InChIInChI=1S/C18H20N2O4/c21-13-11-19(12-14-22)18-4-2-1-3-16(18)8-5-15-6-9-17(10-7-15)20(23)24/h1-10,21-22H,11-14H2
InChIKeyLNNGNZCXNQLWEX-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.56
Rot. Bonds8

About 2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol

2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol (PubChem CID 156907968) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol
PubChem CID156907968
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol
SMILESO=[N+]([O-])c1ccc(C=Cc2ccccc2N(CCO)CCO)cc1
InChIInChI=1S/C18H20N2O4/c21-13-11-19(12-14-22)18-4-2-1-3-16(18)8-5-15-6-9-17(10-7-15)20(23)24/h1-10,21-22H,11-14H2
InChIKeyLNNGNZCXNQLWEX-UHFFFAOYSA-N
XLogP2.56
TPSA86.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
1,5-bis[2-(4-nitrophenyl)ethenyl]anthracene-9,10-dione
CID 71408520
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
methyl 2-[(E)-2-(4-nitrophenyl)ethenyl]benzoate
CID 6300586
methyl (E)-3-[2-[bis(2-hydroxyethyl)amino]phenyl]prop-2-enoate
CID 5473930
2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
CID 4640416
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
CID 15074034
2-(2-nitro-N-propylanilino)ethanol
CID 61426021
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
1-[(E)-2-hydroxysulfanylethenyl]-4-nitrobenzene
CID 143668181

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol (CID 156907968) is 2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol is O=[N+]([O-])c1ccc(C=Cc2ccccc2N(CCO)CCO)cc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol?
The InChIKey is LNNGNZCXNQLWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-13-11-19(12-14-22)18-4-2-1-3-16(18)8-5-15-6-9-17(10-7-15)20(23)24/h1-10,21-22H,11-14H2.
What are the key properties of 2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol?
2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol has a molecular weight of 328.37 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-2-[2-(4-nitrophenyl)ethenyl]anilino]ethanol is sourced from PubChem (CID 156907968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).