[5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C18H22N2O3 — CID 91679348

IUPAC[5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(N)ccc1-c1ccc(C(=O)N2CC(C)OC(C)C2)o1
InChIInChI=1S/C18H22N2O3/c1-11-8-14(19)4-5-15(11)16-6-7-17(23-16)18(21)20-9-12(2)22-13(3)10-20/h4-8,12-13H,9-10,19H2,1-3H3
InChIKeyWANYFWKVFBBMSE-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.09
Rot. Bonds2

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

[5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 91679348) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is [5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID91679348
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name[5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(N)ccc1-c1ccc(C(=O)N2CC(C)OC(C)C2)o1
InChIInChI=1S/C18H22N2O3/c1-11-8-14(19)4-5-15(11)16-6-7-17(23-16)18(21)20-9-12(2)22-13(3)10-20/h4-8,12-13H,9-10,19H2,1-3H3
InChIKeyWANYFWKVFBBMSE-UHFFFAOYSA-N
XLogP3.09
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-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

[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804516
[5-(4-aminophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804498
[5-(4-amino-2-bromophenyl)furan-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804512
[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804507
[5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 91679345
[5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 91679339
[5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804554
[5-(3-amino-4-methylphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 91679636
(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580
5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide
CID 120626034
[5-(3-amino-2-methylphenyl)furan-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804530
(E)-3-[5-(4-amino-2-methylphenyl)furan-2-yl]-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 132591002

Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 91679348) is [5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is Cc1cc(N)ccc1-c1ccc(C(=O)N2CC(C)OC(C)C2)o1.
What is the InChIKey of [5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is WANYFWKVFBBMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11-8-14(19)4-5-15(11)16-6-7-17(23-16)18(21)20-9-12(2)22-13(3)10-20/h4-8,12-13H,9-10,19H2,1-3H3.
What are the key properties of [5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 314.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 91679348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).