(E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide

C23H28N2O3 — CID 55774179

IUPAC(E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C23H28N2O3/c1-5-12-28-20-9-6-19(7-10-20)8-11-21(26)24-15-22(27)25-23-17(3)13-16(2)14-18(23)4/h6-11,13-14H,5,12,15H2,1-4H3,(H,24,26)(H,25,27)/b11-8+
InChIKeyYPOZANAYFUKPIL-DHZHZOJOSA-N
MW380.49 g/mol
LogP4.17
Rot. Bonds8

About (E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide

(E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide (PubChem CID 55774179) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide
PubChem CID55774179
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C23H28N2O3/c1-5-12-28-20-9-6-19(7-10-20)8-11-21(26)24-15-22(27)25-23-17(3)13-16(2)14-18(23)4/h6-11,13-14H,5,12,15H2,1-4H3,(H,24,26)(H,25,27)/b11-8+
InChIKeyYPOZANAYFUKPIL-DHZHZOJOSA-N
XLogP4.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxy-4-propoxyphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 85461530
(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-propoxyphenyl)prop-2-enamide
CID 55771191
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 26712863
3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 85461562
N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide
CID 2791771
methyl 4-[[3-(4-propoxyphenyl)prop-2-enoylamino]methyl]benzoate
CID 55771610
methyl 4-[3-(4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3535563
(E)-3-(2-chlorophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 26713975
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 26713690
(E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 9440326
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide (CID 55774179) is (E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(/C=C/C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of (E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is YPOZANAYFUKPIL-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-5-12-28-20-9-6-19(7-10-20)8-11-21(26)24-15-22(27)25-23-17(3)13-16(2)14-18(23)4/h6-11,13-14H,5,12,15H2,1-4H3,(H,24,26)(H,25,27)/b11-8+.
What are the key properties of (E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide?
(E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 380.49 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 55774179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).