[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone

C18H21NO4 — CID 95739221

IUPAC[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone
SMILESC=CCOc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2occc12
InChIInChI=1S/C18H21NO4/c1-4-6-21-16-8-14(9-17-15(16)5-7-22-17)18(20)19-10-12(2)23-13(3)11-19/h4-5,7-9,12-13H,1,6,10-11H2,2-3H3/t12-,13-/m0/s1
InChIKeyGHHHKLGGRHCWKL-STQMWFEESA-N
MW315.37 g/mol
LogP3.25
Rot. Bonds4

About [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone (PubChem CID 95739221) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone
PubChem CID95739221
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone
SMILESC=CCOc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2occc12
InChIInChI=1S/C18H21NO4/c1-4-6-21-16-8-14(9-17-15(16)5-7-22-17)18(20)19-10-12(2)23-13(3)11-19/h4-5,7-9,12-13H,1,6,10-11H2,2-3H3/t12-,13-/m0/s1
InChIKeyGHHHKLGGRHCWKL-STQMWFEESA-N
XLogP3.25
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone 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,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone
CID 95739192
(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993576
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(2,6-dimethylmorpholin-4-yl)-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 6472543
2-(2,6-dimethylmorpholin-4-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
CID 82052122
(3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 35864203
(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
N-[3-acetamido-5-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 18108345
(7-ethyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-(4-prop-2-enoxyphenyl)methanone
CID 131687861
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 94367175
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone?
The IUPAC name of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone (CID 95739221) is [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone is C=CCOc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2occc12.
What is the InChIKey of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone?
The InChIKey is GHHHKLGGRHCWKL-STQMWFEESA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-6-21-16-8-14(9-17-15(16)5-7-22-17)18(20)19-10-12(2)23-13(3)11-19/h4-5,7-9,12-13H,1,6,10-11H2,2-3H3/t12-,13-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone?
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone has a molecular weight of 315.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-prop-2-enoxy-1-benzofuran-6-yl)methanone is sourced from PubChem (CID 95739221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).