(2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide

C18H21FN2O3 — CID 97151726

IUPAC(2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide
SMILESCc1cc(F)ccc1-c1ccc(CN2C[C@@H](C)O[C@H](C(N)=O)C2)o1
InChIInChI=1S/C18H21FN2O3/c1-11-7-13(19)3-5-15(11)16-6-4-14(24-16)9-21-8-12(2)23-17(10-21)18(20)22/h3-7,12,17H,8-10H2,1-2H3,(H2,20,22)/t12-,17+/m1/s1
InChIKeyJYCCYZCVPGWVSD-PXAZEXFGSA-N
MW332.38 g/mol
LogP2.47
Rot. Bonds4

About (2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide

(2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide (PubChem CID 97151726) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is (2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide
PubChem CID97151726
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name(2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide
SMILESCc1cc(F)ccc1-c1ccc(CN2C[C@@H](C)O[C@H](C(N)=O)C2)o1
InChIInChI=1S/C18H21FN2O3/c1-11-7-13(19)3-5-15(11)16-6-4-14(24-16)9-21-8-12(2)23-17(10-21)18(20)22/h3-7,12,17H,8-10H2,1-2H3,(H2,20,22)/t12-,17+/m1/s1
InChIKeyJYCCYZCVPGWVSD-PXAZEXFGSA-N
XLogP2.47
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide with MolForge

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Related Compounds

2-[[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043322
2-[[1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 146146648
(2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide
CID 124516000
1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 122040964
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
(2R)-2-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylsulfanylbutanoic acid
CID 99796579
(2R,6R)-4-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-6-methylmorpholine-2-carboxamide
CID 97151710
5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 55213233
2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 113356760
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)propanamide
CID 771352
1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol
CID 119134619
5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol
CID 111448827

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide (CID 97151726) is (2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide is Cc1cc(F)ccc1-c1ccc(CN2C[C@@H](C)O[C@H](C(N)=O)C2)o1.
What is the InChIKey of (2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide?
The InChIKey is JYCCYZCVPGWVSD-PXAZEXFGSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-11-7-13(19)3-5-15(11)16-6-4-14(24-16)9-21-8-12(2)23-17(10-21)18(20)22/h3-7,12,17H,8-10H2,1-2H3,(H2,20,22)/t12-,17+/m1/s1.
What are the key properties of (2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide?
(2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 97151726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).