methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate

C20H25NO4 — CID 155509189

IUPACmethyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)o1
InChIInChI=1S/C20H25NO4/c1-14(2)18-12-21(11-16-9-10-17(24-16)20(22)23-3)13-19(25-18)15-7-5-4-6-8-15/h4-10,14,18-19H,11-13H2,1-3H3/t18-,19+/m1/s1
InChIKeyJLSJULRHYBWTCL-MOPGFXCFSA-N
MW343.42 g/mol
LogP3.66
Rot. Bonds5

About methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate

methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate (PubChem CID 155509189) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate
PubChem CID155509189
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Namemethyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)o1
InChIInChI=1S/C20H25NO4/c1-14(2)18-12-21(11-16-9-10-17(24-16)20(22)23-3)13-19(25-18)15-7-5-4-6-8-15/h4-10,14,18-19H,11-13H2,1-3H3/t18-,19+/m1/s1
InChIKeyJLSJULRHYBWTCL-MOPGFXCFSA-N
XLogP3.66
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

2-methoxy-5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]benzoic acid
CID 155915234
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
(2R,6S)-2-phenyl-6-propan-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 155910827
methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 63596044
2-(cyclopropylamino)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone;hydrochloride
CID 154914015
(2R,6S)-4-(1H-imidazol-2-ylmethyl)-2-phenyl-6-propan-2-ylmorpholine
CID 134708049
methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61204990
methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate
CID 79868617
methyl 5-[(2-cyclopropylpropylamino)methyl]furan-2-carboxylate
CID 115905012
[5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol
CID 56853664
3-amino-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]propan-1-one;hydrochloride
CID 154913614
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate (CID 155509189) is methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)o1.
What is the InChIKey of methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate?
The InChIKey is JLSJULRHYBWTCL-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14(2)18-12-21(11-16-9-10-17(24-16)20(22)23-3)13-19(25-18)15-7-5-4-6-8-15/h4-10,14,18-19H,11-13H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate?
methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate has a molecular weight of 343.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 155509189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).