[5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C18H22N2O4 — CID 100804554

IUPAC[5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)o2)cc1N
InChIInChI=1S/C18H22N2O4/c1-11-9-20(10-12(2)23-11)18(21)17-7-6-15(24-17)13-4-5-16(22-3)14(19)8-13/h4-8,11-12H,9-10,19H2,1-3H3/t11-,12-/m0/s1
InChIKeyMDFQVJMHRWCNSD-RYUDHWBXSA-N
MW330.38 g/mol
LogP2.79
Rot. Bonds3

About [5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

[5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 100804554) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID100804554
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)o2)cc1N
InChIInChI=1S/C18H22N2O4/c1-11-9-20(10-12(2)23-11)18(21)17-7-6-15(24-17)13-4-5-16(22-3)14(19)8-13/h4-8,11-12H,9-10,19H2,1-3H3/t11-,12-/m0/s1
InChIKeyMDFQVJMHRWCNSD-RYUDHWBXSA-N
XLogP2.79
TPSA77.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 91679339
[5-(4-aminophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804498
[5-(3-amino-4-methoxyphenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 91679691
[5-(3-amino-4-methylphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 91679636
(2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone
CID 25246431
[5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 91679348
[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804516
[5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 5180717
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
[5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 91679345
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
2-(3,4-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3373584

Frequently Asked Questions

What is the IUPAC name of [5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 100804554) is [5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is COc1ccc(-c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)o2)cc1N.
What is the InChIKey of [5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is MDFQVJMHRWCNSD-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11-9-20(10-12(2)23-11)18(21)17-7-6-15(24-17)13-4-5-16(22-3)14(19)8-13/h4-8,11-12H,9-10,19H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of [5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 330.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 100804554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).