2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide

C21H31N3O4 — CID 166620853

IUPAC2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NC[C@@H]1CC[C@H](CC(=O)N2CCOCC2)N1C
InChIInChI=1S/C21H31N3O4/c1-3-28-19-7-5-4-6-18(19)21(26)22-15-17-9-8-16(23(17)2)14-20(25)24-10-12-27-13-11-24/h4-7,16-17H,3,8-15H2,1-2H3,(H,22,26)/t16-,17+/m1/s1
InChIKeySXXFDWPJGXSSSI-SJORKVTESA-N
MW389.50 g/mol
LogP1.53
Rot. Bonds7

About 2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide

2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide (PubChem CID 166620853) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
PubChem CID166620853
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
SMILESCCOc1ccccc1C(=O)NC[C@@H]1CC[C@H](CC(=O)N2CCOCC2)N1C
InChIInChI=1S/C21H31N3O4/c1-3-28-19-7-5-4-6-18(19)21(26)22-15-17-9-8-16(23(17)2)14-20(25)24-10-12-27-13-11-24/h4-7,16-17H,3,8-15H2,1-2H3,(H,22,26)/t16-,17+/m1/s1
InChIKeySXXFDWPJGXSSSI-SJORKVTESA-N
XLogP1.53
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide with MolForge

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Related Compounds

2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 165427835
4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 171386005
(E)-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-3-phenylprop-2-enamide
CID 165426080
2-ethoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51173152
formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide
CID 171712151
1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide
CID 166616191
2-(3-chlorophenyl)-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]acetamide;formic acid
CID 171709665
2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide
CID 97180721
4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171910861
2-ethoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027029
2-(cyclopropylmethylamino)-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 119715860
2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide
CID 136520005

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide (CID 166620853) is 2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide is CCOc1ccccc1C(=O)NC[C@@H]1CC[C@H](CC(=O)N2CCOCC2)N1C.
What is the InChIKey of 2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide?
The InChIKey is SXXFDWPJGXSSSI-SJORKVTESA-N. The full InChI is InChI=1S/C21H31N3O4/c1-3-28-19-7-5-4-6-18(19)21(26)22-15-17-9-8-16(23(17)2)14-20(25)24-10-12-27-13-11-24/h4-7,16-17H,3,8-15H2,1-2H3,(H,22,26)/t16-,17+/m1/s1.
What are the key properties of 2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide?
2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 166620853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).