(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide

C18H24ClN3O3 — CID 110305494

IUPAC(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
SMILESC/C(=C\c1ccc(Cl)cc1)C(=O)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C18H24ClN3O3/c1-14(12-15-2-4-16(19)5-3-15)18(24)21-13-17(23)20-6-7-22-8-10-25-11-9-22/h2-5,12H,6-11,13H2,1H3,(H,20,23)(H,21,24)/b14-12+
InChIKeyDPOZUPWSBFZZBF-WYMLVPIESA-N
MW365.86 g/mol
LogP1.31
Rot. Bonds7

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

(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide (PubChem CID 110305494) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
PubChem CID110305494
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
SMILESC/C(=C\c1ccc(Cl)cc1)C(=O)NCC(=O)NCCN1CCOCC1
InChIInChI=1S/C18H24ClN3O3/c1-14(12-15-2-4-16(19)5-3-15)18(24)21-13-17(23)20-6-7-22-8-10-25-11-9-22/h2-5,12H,6-11,13H2,1H3,(H,20,23)(H,21,24)/b14-12+
InChIKeyDPOZUPWSBFZZBF-WYMLVPIESA-N
XLogP1.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 110305491
(E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide
CID 110306701
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
N-[(Z)-1-(4-chlorophenyl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2873960
ethyl 4-[2-[[(E)-3-(4-chlorophenyl)-2-methylprop-2-enoyl]amino]acetyl]piperazine-1-carboxylate
CID 110305634
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51159478
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910
(E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide
CID 110302697
2-[(3-bromo-4-methylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110305506
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
2-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 162395738
3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 162395592

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide (CID 110305494) is (E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide is C/C(=C\c1ccc(Cl)cc1)C(=O)NCC(=O)NCCN1CCOCC1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide?
The InChIKey is DPOZUPWSBFZZBF-WYMLVPIESA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-14(12-15-2-4-16(19)5-3-15)18(24)21-13-17(23)20-6-7-22-8-10-25-11-9-22/h2-5,12H,6-11,13H2,1H3,(H,20,23)(H,21,24)/b14-12+.
What are the key properties of (E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide has a molecular weight of 365.86 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 110305494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).