(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide

C17H24N2O3 — CID 8900075

IUPAC(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C17H24N2O3/c1-11-9-19(10-12(2)22-11)13(3)17(21)18-16-7-5-6-15(8-16)14(4)20/h5-8,11-13H,9-10H2,1-4H3,(H,18,21)/t11-,12-,13-/m0/s1
InChIKeyQXMREWXAJRQOOS-AVGNSLFASA-N
MW304.39 g/mol
LogP2.33
Rot. Bonds4

About (2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide

(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide (PubChem CID 8900075) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
PubChem CID8900075
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C17H24N2O3/c1-11-9-19(10-12(2)22-11)13(3)17(21)18-16-7-5-6-15(8-16)14(4)20/h5-8,11-13H,9-10H2,1-4H3,(H,18,21)/t11-,12-,13-/m0/s1
InChIKeyQXMREWXAJRQOOS-AVGNSLFASA-N
XLogP2.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107
2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide
CID 47145118
(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46631115
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104957908
(2S)-N-(3-bromophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430772

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide (CID 8900075) is (2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide is CC(=O)c1cccc(NC(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
The InChIKey is QXMREWXAJRQOOS-AVGNSLFASA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-9-19(10-12(2)22-11)13(3)17(21)18-16-7-5-6-15(8-16)14(4)20/h5-8,11-13H,9-10H2,1-4H3,(H,18,21)/t11-,12-,13-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide?
(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide has a molecular weight of 304.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide is sourced from PubChem (CID 8900075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).