N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C21H31N3O5S — CID 45354263

IUPACN-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCOc1ccc(C(CNC(=O)CCN2CCSC2=O)N2CCOCC2)cc1OC
InChIInChI=1S/C21H31N3O5S/c1-3-29-18-5-4-16(14-19(18)27-2)17(23-8-11-28-12-9-23)15-22-20(25)6-7-24-10-13-30-21(24)26/h4-5,14,17H,3,6-13,15H2,1-2H3,(H,22,25)
InChIKeyMACGAUJNXWCFGL-UHFFFAOYSA-N
MW437.56 g/mol
LogP2.14
Rot. Bonds10

About N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 45354263) has the molecular formula C21H31N3O5S and a molecular weight of 437.56 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID45354263
Molecular FormulaC21H31N3O5S
Molecular Weight437.56 g/mol
Exact Mass437.20
IUPAC NameN-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCOc1ccc(C(CNC(=O)CCN2CCSC2=O)N2CCOCC2)cc1OC
InChIInChI=1S/C21H31N3O5S/c1-3-29-18-5-4-16(14-19(18)27-2)17(23-8-11-28-12-9-23)15-22-20(25)6-7-24-10-13-30-21(24)26/h4-5,14,17H,3,6-13,15H2,1-2H3,(H,22,25)
InChIKeyMACGAUJNXWCFGL-UHFFFAOYSA-N
XLogP2.14
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-3-methylbenzamide
CID 24647897
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
tert-butyl N-[3-[[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]carbamate
CID 29360799
4-chloro-N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 43019504
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-4-ethylbenzamide
CID 8893146
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
3-[[N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111312829
4-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]butanamide
CID 46472197
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethoxy-4-propoxybenzamide
CID 29359882
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 24647895
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 30549132

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 45354263) is N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CCOc1ccc(C(CNC(=O)CCN2CCSC2=O)N2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is MACGAUJNXWCFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O5S/c1-3-29-18-5-4-16(14-19(18)27-2)17(23-8-11-28-12-9-23)15-22-20(25)6-7-24-10-13-30-21(24)26/h4-5,14,17H,3,6-13,15H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 437.56 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 45354263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).