(2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide

C18H26N2O3 — CID 129400358

IUPAC(2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide
SMILESC=CCC[C@H](NC(=O)N1C[C@H](CO)O[C@H](C)C1)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-3-4-10-17(15-8-6-5-7-9-15)19-18(22)20-11-14(2)23-16(12-20)13-21/h3,5-9,14,16-17,21H,1,4,10-13H2,2H3,(H,19,22)/t14-,16-,17+/m1/s1
InChIKeyMWKAZXJXJTXUAG-OIISXLGYSA-N
MW318.42 g/mol
LogP2.49
Rot. Bonds6

About (2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide

(2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide (PubChem CID 129400358) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide
PubChem CID129400358
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide
SMILESC=CCC[C@H](NC(=O)N1C[C@H](CO)O[C@H](C)C1)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-3-4-10-17(15-8-6-5-7-9-15)19-18(22)20-11-14(2)23-16(12-20)13-21/h3,5-9,14,16-17,21H,1,4,10-13H2,2H3,(H,19,22)/t14-,16-,17+/m1/s1
InChIKeyMWKAZXJXJTXUAG-OIISXLGYSA-N
XLogP2.49
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[(1R)-1-phenylpent-4-enyl]-1,4-diazepane-1-carboxamide
CID 124611060
(2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid
CID 114005918
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(prop-2-enylamino)ethanone
CID 102932694
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
CID 102932282
2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide
CID 111455922
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102934811
(2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 129429378
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one
CID 102932657
(2S)-2-hydroxy-3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 114007789
2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide
CID 110746739
(2S)-2-methyl-N-[(1R)-2-methylsulfonyl-1-phenylethyl]-1,4-oxazepane-4-carboxamide
CID 124614660
N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide
CID 86880551

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide?
The IUPAC name of (2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide (CID 129400358) is (2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide is C=CCC[C@H](NC(=O)N1C[C@H](CO)O[C@H](C)C1)c1ccccc1.
What is the InChIKey of (2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide?
The InChIKey is MWKAZXJXJTXUAG-OIISXLGYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-4-10-17(15-8-6-5-7-9-15)19-18(22)20-11-14(2)23-16(12-20)13-21/h3,5-9,14,16-17,21H,1,4,10-13H2,2H3,(H,19,22)/t14-,16-,17+/m1/s1.
What are the key properties of (2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide?
(2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-(hydroxymethyl)-6-methyl-N-[(1S)-1-phenylpent-4-enyl]morpholine-4-carboxamide is sourced from PubChem (CID 129400358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).