(E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide

C24H28N4O2 — CID 134056411

IUPAC(E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCCN(CC)C(CNC(=O)/C=C/c1cnc2ccccc2n1)c1cccc(OC)c1
InChIInChI=1S/C24H28N4O2/c1-4-28(5-2)23(18-9-8-10-20(15-18)30-3)17-26-24(29)14-13-19-16-25-21-11-6-7-12-22(21)27-19/h6-16,23H,4-5,17H2,1-3H3,(H,26,29)/b14-13+
InChIKeyATNTWIKWDRSZGM-BUHFOSPRSA-N
MW404.51 g/mol
LogP3.85
Rot. Bonds9

About (E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide

(E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 134056411) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
PubChem CID134056411
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
SMILESCCN(CC)C(CNC(=O)/C=C/c1cnc2ccccc2n1)c1cccc(OC)c1
InChIInChI=1S/C24H28N4O2/c1-4-28(5-2)23(18-9-8-10-20(15-18)30-3)17-26-24(29)14-13-19-16-25-21-11-6-7-12-22(21)27-19/h6-16,23H,4-5,17H2,1-3H3,(H,26,29)/b14-13+
InChIKeyATNTWIKWDRSZGM-BUHFOSPRSA-N
XLogP3.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 98439360
(E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 46545571
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
(E)-1-(3-methoxyphenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 9028030
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide
CID 119039953
2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 24646425
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
(Z)-3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(diethylamino)-2-phenylethyl]prop-2-enamide
CID 97359697
(E)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 51931070
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide (CID 134056411) is (E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide is CCN(CC)C(CNC(=O)/C=C/c1cnc2ccccc2n1)c1cccc(OC)c1.
What is the InChIKey of (E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is ATNTWIKWDRSZGM-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-4-28(5-2)23(18-9-8-10-20(15-18)30-3)17-26-24(29)14-13-19-16-25-21-11-6-7-12-22(21)27-19/h6-16,23H,4-5,17H2,1-3H3,(H,26,29)/b14-13+.
What are the key properties of (E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 404.51 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 134056411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).