(2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide

C19H26F2N2O4 — CID 95187138

IUPAC(2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide
SMILESO=C(NCCCOC[C@@H]1CCCO1)N1CCO[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H26F2N2O4/c20-16-5-4-14(11-17(16)21)18-12-23(7-10-27-18)19(24)22-6-2-8-25-13-15-3-1-9-26-15/h4-5,11,15,18H,1-3,6-10,12-13H2,(H,22,24)/t15-,18-/m0/s1
InChIKeyIAMMHRUUABHWTQ-YJBOKZPZSA-N
MW384.42 g/mol
LogP2.63
Rot. Bonds7

About (2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide

(2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide (PubChem CID 95187138) has the molecular formula C19H26F2N2O4 and a molecular weight of 384.42 g/mol. Its IUPAC name is (2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide
PubChem CID95187138
Molecular FormulaC19H26F2N2O4
Molecular Weight384.42 g/mol
Exact Mass384.19
IUPAC Name(2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide
SMILESO=C(NCCCOC[C@@H]1CCCO1)N1CCO[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H26F2N2O4/c20-16-5-4-14(11-17(16)21)18-12-23(7-10-27-18)19(24)22-6-2-8-25-13-15-3-1-9-26-15/h4-5,11,15,18H,1-3,6-10,12-13H2,(H,22,24)/t15-,18-/m0/s1
InChIKeyIAMMHRUUABHWTQ-YJBOKZPZSA-N
XLogP2.63
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-chlorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide
CID 94656763
(2S)-2-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 95178272
2-(3,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126774661
(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide
CID 95179186
N-[(3,4-difluorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182506
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 99773840
(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
CID 129425263
2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 79791073
1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 40881806
(2S)-N-(2-cyclobutylethyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 99814956
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide (CID 95187138) is (2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide is O=C(NCCCOC[C@@H]1CCCO1)N1CCO[C@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of (2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide?
The InChIKey is IAMMHRUUABHWTQ-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H26F2N2O4/c20-16-5-4-14(11-17(16)21)18-12-23(7-10-27-18)19(24)22-6-2-8-25-13-15-3-1-9-26-15/h4-5,11,15,18H,1-3,6-10,12-13H2,(H,22,24)/t15-,18-/m0/s1.
What are the key properties of (2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide?
(2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-difluorophenyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]morpholine-4-carboxamide is sourced from PubChem (CID 95187138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).