(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide

C24H29N3O4 — CID 9409440

IUPAC(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H29N3O4/c1-3-31-22-7-5-4-6-19(22)8-13-24(29)26(2)18-23(28)25-20-9-11-21(12-10-20)27-14-16-30-17-15-27/h4-13H,3,14-18H2,1-2H3,(H,25,28)/b13-8+
InChIKeyAKSZWFMBPMIHPQ-MDWZMJQESA-N
MW423.51 g/mol
LogP3.03
Rot. Bonds8

About (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide

(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide (PubChem CID 9409440) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
PubChem CID9409440
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H29N3O4/c1-3-31-22-7-5-4-6-19(22)8-13-24(29)26(2)18-23(28)25-20-9-11-21(12-10-20)27-14-16-30-17-15-27/h4-13H,3,14-18H2,1-2H3,(H,25,28)/b13-8+
InChIKeyAKSZWFMBPMIHPQ-MDWZMJQESA-N
XLogP3.03
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592828
N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4095390
(E)-3-(3,5-dimethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 55413486
(E)-N-methyl-3-(5-methylfuran-2-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 51143443
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55342225
(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
CID 9409771
(E)-3-(2-chlorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9438905
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide
CID 9207458
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(3-nitrophenyl)prop-2-enamide
CID 4820765
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
3-(2-ethoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]prop-2-enamide
CID 55906040

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide (CID 9409440) is (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide is CCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
The InChIKey is AKSZWFMBPMIHPQ-MDWZMJQESA-N. The full InChI is InChI=1S/C24H29N3O4/c1-3-31-22-7-5-4-6-19(22)8-13-24(29)26(2)18-23(28)25-20-9-11-21(12-10-20)27-14-16-30-17-15-27/h4-13H,3,14-18H2,1-2H3,(H,25,28)/b13-8+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide?
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide has a molecular weight of 423.51 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 9409440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).