(3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide

C18H24N2O4 — CID 97086193

IUPAC(3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C18H24N2O4/c1-13(16-8-5-9-24-16)19-18(22)15-11-23-12-17(21)20(15)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H,19,22)/t13-,15-,16+/m0/s1
InChIKeyBTGJTHZGJZRRGQ-CWRNSKLLSA-N
MW332.40 g/mol
LogP1.10
Rot. Bonds5

About (3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide

(3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide (PubChem CID 97086193) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide
PubChem CID97086193
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C18H24N2O4/c1-13(16-8-5-9-24-16)19-18(22)15-11-23-12-17(21)20(15)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H,19,22)/t13-,15-,16+/m0/s1
InChIKeyBTGJTHZGJZRRGQ-CWRNSKLLSA-N
XLogP1.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide with MolForge

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Related Compounds

(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
4-benzyl-5-oxo-N-(1-pyrazol-1-ylpropan-2-yl)morpholine-3-carboxamide
CID 71877725
4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71877714
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
CID 71877839
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 71877650
(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide
CID 124857097
(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 120577030
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119602841
(3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 97040862
(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride
CID 120577029

Frequently Asked Questions

What is the IUPAC name of (3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide (CID 97086193) is (3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide is C[C@H](NC(=O)[C@@H]1COCC(=O)N1Cc1ccccc1)[C@H]1CCCO1.
What is the InChIKey of (3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide?
The InChIKey is BTGJTHZGJZRRGQ-CWRNSKLLSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13(16-8-5-9-24-16)19-18(22)15-11-23-12-17(21)20(15)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H,19,22)/t13-,15-,16+/m0/s1.
What are the key properties of (3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide?
(3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 97086193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).