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

C15H20N2O4 — CID 134696775

IUPAC(2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCOCCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-20-9-5-8-16-15(19)14-13(17-12(18)10-21-14)11-6-3-2-4-7-11/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,16,19)(H,17,18)/t13-,14+/m1/s1
InChIKeyJVAWJHUTCFHFAK-KGLIPLIRSA-N
MW292.34 g/mol
LogP0.40
Rot. Bonds6

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

(2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 134696775) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID134696775
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name(2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCOCCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-20-9-5-8-16-15(19)14-13(17-12(18)10-21-14)11-6-3-2-4-7-11/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,16,19)(H,17,18)/t13-,14+/m1/s1
InChIKeyJVAWJHUTCFHFAK-KGLIPLIRSA-N
XLogP0.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;(2S,3R)-N-(4-aminobutyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 154918670
(2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134698422
(2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 163337634
(2S,3R)-N-[1-(methoxymethyl)cyclopentyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134701145
(2S,3R)-N-[2-(1-methylimidazol-2-yl)ethyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 162634624
(2S,3R)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134713077
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide
CID 157017806
(2R,3R)-N-(4-methylsulfonylphenyl)sulfonyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 110166834
3-(3-fluorophenyl)-N-(3-methoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689508
(2S,3R)-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134707252
4-methyl-5-oxo-N-(3-phenoxypropyl)-3-phenylmorpholine-2-carboxamide
CID 119039713
(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134704890

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide (CID 134696775) is (2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide is COCCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is JVAWJHUTCFHFAK-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-9-5-8-16-15(19)14-13(17-12(18)10-21-14)11-6-3-2-4-7-11/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,16,19)(H,17,18)/t13-,14+/m1/s1.
What are the key properties of (2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 134696775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).