(2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide

C17H20N4O3 — CID 162634624

IUPAC(2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCn1ccnc1CCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C17H20N4O3/c1-21-10-9-18-13(21)7-8-19-17(23)16-15(20-14(22)11-24-16)12-5-3-2-4-6-12/h2-6,9-10,15-16H,7-8,11H2,1H3,(H,19,23)(H,20,22)/t15-,16+/m1/s1
InChIKeyLOYHQTHUGNUBFZ-CVEARBPZSA-N
MW328.37 g/mol
LogP0.34
Rot. Bonds5

About (2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 162634624) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID162634624
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCn1ccnc1CCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C17H20N4O3/c1-21-10-9-18-13(21)7-8-19-17(23)16-15(20-14(22)11-24-16)12-5-3-2-4-6-12/h2-6,9-10,15-16H,7-8,11H2,1H3,(H,19,23)(H,20,22)/t15-,16+/m1/s1
InChIKeyLOYHQTHUGNUBFZ-CVEARBPZSA-N
XLogP0.34
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134697154
(2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134698422
(2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 156585560
(2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134696775
acetic acid;(2S,3R)-N-(4-aminobutyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 154918670
(2S,3R)-3-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 134696941
(2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134713077
N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007268
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262436
(2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134707252
2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79388870
(2S,3R)-3-(2-chlorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]-5-oxomorpholine-2-carboxamide
CID 157013949

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide (CID 162634624) is (2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide is Cn1ccnc1CCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is LOYHQTHUGNUBFZ-CVEARBPZSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-21-10-9-18-13(21)7-8-19-17(23)16-15(20-14(22)11-24-16)12-5-3-2-4-6-12/h2-6,9-10,15-16H,7-8,11H2,1H3,(H,19,23)(H,20,22)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 162634624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).