3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide

C21H23ClN2O4 — CID 67584480

IUPAC3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide
SMILESCOc1ccc(C(=C(C(N)=O)N2CCOCC2)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H23ClN2O4/c1-26-17-8-5-15(13-18(17)27-2)19(14-3-6-16(22)7-4-14)20(21(23)25)24-9-11-28-12-10-24/h3-8,13H,9-12H2,1-2H3,(H2,23,25)
InChIKeyDTKSZDKDPHBNNW-UHFFFAOYSA-N
MW402.88 g/mol
LogP2.93
Rot. Bonds6

About 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide

3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide (PubChem CID 67584480) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide
PubChem CID67584480
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide
SMILESCOc1ccc(C(=C(C(N)=O)N2CCOCC2)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H23ClN2O4/c1-26-17-8-5-15(13-18(17)27-2)19(14-3-6-16(22)7-4-14)20(21(23)25)24-9-11-28-12-10-24/h3-8,13H,9-12H2,1-2H3,(H2,23,25)
InChIKeyDTKSZDKDPHBNNW-UHFFFAOYSA-N
XLogP2.93
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 52.93
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

3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-morpholin-4-ylprop-2-en-1-one
CID 69169085
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
(2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501974
4-chlorobenzoyl chloride;4-chloro-N-[4-[1-(3,4-dimethoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]benzamide
CID 157201868
4-[3-[2-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethenyl]oxiran-2-yl]morpholine
CID 123136742
(1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate
CID 16501968
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82122953
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide (CID 67584480) is 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide is COc1ccc(C(=C(C(N)=O)N2CCOCC2)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide?
The InChIKey is DTKSZDKDPHBNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-26-17-8-5-15(13-18(17)27-2)19(14-3-6-16(22)7-4-14)20(21(23)25)24-9-11-28-12-10-24/h3-8,13H,9-12H2,1-2H3,(H2,23,25).
What are the key properties of 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide?
3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide has a molecular weight of 402.88 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-morpholin-4-ylprop-2-enamide is sourced from PubChem (CID 67584480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).