(2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide

C18H24N2O4 — CID 163337634

IUPAC(2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCOCCCNC(=O)[C@@H]1OCC(=O)N(C2CC2)[C@H]1c1ccccc1
InChIInChI=1S/C18H24N2O4/c1-23-11-5-10-19-18(22)17-16(13-6-3-2-4-7-13)20(14-8-9-14)15(21)12-24-17/h2-4,6-7,14,16-17H,5,8-12H2,1H3,(H,19,22)/t16-,17+/m0/s1
InChIKeyCBKCFNXZASYXDM-DLBZAZTESA-N
MW332.40 g/mol
LogP1.27
Rot. Bonds7

About (2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide

(2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 163337634) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID163337634
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCOCCCNC(=O)[C@@H]1OCC(=O)N(C2CC2)[C@H]1c1ccccc1
InChIInChI=1S/C18H24N2O4/c1-23-11-5-10-19-18(22)17-16(13-6-3-2-4-7-13)20(14-8-9-14)15(21)12-24-17/h2-4,6-7,14,16-17H,5,8-12H2,1H3,(H,19,22)/t16-,17+/m0/s1
InChIKeyCBKCFNXZASYXDM-DLBZAZTESA-N
XLogP1.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.27
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

4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide
CID 119039713
(2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134696775
3-(3-fluorophenyl)-N-(3-methoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689508
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide
CID 134707256
(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide
CID 134709742
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide
CID 157018851
(2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 163336226
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
CID 137281044
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide
CID 134705128
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide
CID 156585572
(2S,3R)-N-[(4-cyanophenyl)methyl]-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxomorpholine-2-carboxamide
CID 134704100
(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738039

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide (CID 163337634) is (2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide is COCCCNC(=O)[C@@H]1OCC(=O)N(C2CC2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is CBKCFNXZASYXDM-DLBZAZTESA-N. The full InChI is InChI=1S/C18H24N2O4/c1-23-11-5-10-19-18(22)17-16(13-6-3-2-4-7-13)20(14-8-9-14)15(21)12-24-17/h2-4,6-7,14,16-17H,5,8-12H2,1H3,(H,19,22)/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
(2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 163337634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).