[4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone

C18H22N2O3 — CID 164638599

IUPAC[4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone
SMILESCC[C@H]1C=CCN1C(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O3/c1-2-16-4-3-9-20(16)18(22)15-7-5-14(6-8-15)17(21)19-10-12-23-13-11-19/h3-8,16H,2,9-13H2,1H3/t16-/m0/s1
InChIKeyYITSGFMKDLMRMU-INIZCTEOSA-N
MW314.38 g/mol
LogP1.95
Rot. Bonds3

About [4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone

[4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 164638599) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is [4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone
PubChem CID164638599
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name[4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone
SMILESCC[C@H]1C=CCN1C(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O3/c1-2-16-4-3-9-20(16)18(22)15-7-5-14(6-8-15)17(21)19-10-12-23-13-11-19/h3-8,16H,2,9-13H2,1H3/t16-/m0/s1
InChIKeyYITSGFMKDLMRMU-INIZCTEOSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone 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

(2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 131902419
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone
CID 125444576
[4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone
CID 60817303
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(morpholine-4-carbonyl)phenyl]borinic acid
CID 67257765
N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide
CID 87027248
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone (CID 164638599) is [4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone is CC[C@H]1C=CCN1C(=O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is YITSGFMKDLMRMU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-16-4-3-9-20(16)18(22)15-7-5-14(6-8-15)17(21)19-10-12-23-13-11-19/h3-8,16H,2,9-13H2,1H3/t16-/m0/s1.
What are the key properties of [4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone?
[4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 314.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-ethyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 164638599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).