2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate

C19H20N2O4 — CID 6857977

IUPAC2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate
SMILESCN(C)CCOC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-20(2)12-13-25-19(22)18(16-6-4-3-5-7-16)14-15-8-10-17(11-9-15)21(23)24/h3-11,14H,12-13H2,1-2H3/b18-14-
InChIKeyDHRZWUWNNUGLPH-JXAWBTAJSA-N
MW340.38 g/mol
LogP3.24
Rot. Bonds7

About 2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate

2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate (PubChem CID 6857977) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate
PubChem CID6857977
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate
SMILESCN(C)CCOC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-20(2)12-13-25-19(22)18(16-6-4-3-5-7-16)14-15-8-10-17(11-9-15)21(23)24/h3-11,14H,12-13H2,1-2H3/b18-14-
InChIKeyDHRZWUWNNUGLPH-JXAWBTAJSA-N
XLogP3.24
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'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

dimethyl-[2-[(Z)-2-(4-nitrophenyl)-3-phenylprop-2-enoyl]oxyethyl]azanium chloride
CID 6536684
2-(dimethylamino)ethyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 97301971
2-hydroxyethyl (Z)-2,3-diphenylprop-2-enoate
CID 173477816
N,N-dimethyl-2-[4-[2-(4-nitrophenyl)but-1-enyl]phenoxy]ethanamine
CID 155387299
2,3-bis(4-nitrophenyl)prop-2-enamide
CID 141151082
(E)-2-(4-nitrophenyl)-1-phenylhept-1-en-3-one
CID 138971441
2-(2-methyl-5-nitroimidazol-1-yl)ethyl (E)-2,3-diphenylprop-2-enoate
CID 44606732
(E)-3-(4-nitrophenyl)-N-octyl-2-phenylprop-2-enamide
CID 13036252
2-(2,3-diphenylprop-2-enoyloxy)ethyl-dimethylazanium;hydrochloride
CID 53446850
ethyl 2-hydroxy-3-(4-nitrophenyl)prop-2-enoate
CID 71421178
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
N-[3-[3-(dimethylamino)propylamino]-3-oxo-1-phenylprop-1-en-2-yl]-4-nitrobenzamide
CID 3126647

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate (CID 6857977) is 2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate is CN(C)CCOC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate?
The InChIKey is DHRZWUWNNUGLPH-JXAWBTAJSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-20(2)12-13-25-19(22)18(16-6-4-3-5-7-16)14-15-8-10-17(11-9-15)21(23)24/h3-11,14H,12-13H2,1-2H3/b18-14-.
What are the key properties of 2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate?
2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate has a molecular weight of 340.38 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoate is sourced from PubChem (CID 6857977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).