(2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide

C19H28N2O5 — CID 14678933

IUPAC(2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide
SMILESCON(C)C(=O)[C@@H](OC1CCCCO1)[C@@H](Cc1ccccc1)NC(C)=O
InChIInChI=1S/C19H28N2O5/c1-14(22)20-16(13-15-9-5-4-6-10-15)18(19(23)21(2)24-3)26-17-11-7-8-12-25-17/h4-6,9-10,16-18H,7-8,11-13H2,1-3H3,(H,20,22)/t16-,17?,18+/m1/s1
InChIKeyIFAJEKNAFDHRMU-BLAYRMRBSA-N
MW364.44 g/mol
LogP1.67
Rot. Bonds8

About (2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide

(2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide (PubChem CID 14678933) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is (2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide
PubChem CID14678933
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name(2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide
SMILESCON(C)C(=O)[C@@H](OC1CCCCO1)[C@@H](Cc1ccccc1)NC(C)=O
InChIInChI=1S/C19H28N2O5/c1-14(22)20-16(13-15-9-5-4-6-10-15)18(19(23)21(2)24-3)26-17-11-7-8-12-25-17/h4-6,9-10,16-18H,7-8,11-13H2,1-3H3,(H,20,22)/t16-,17?,18+/m1/s1
InChIKeyIFAJEKNAFDHRMU-BLAYRMRBSA-N
XLogP1.67
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide with MolForge

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Related Compounds

methyl (2S)-2-(oxan-2-yloxy)-3-phenylpropanoate
CID 14804719
tert-butyl N-[(2S,3S)-3-(oxan-2-yloxy)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 57055042
(3S)-5-methyl-2-(oxan-2-yloxy)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 18633321
methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate
CID 135016792
methyl 2-[[(2R)-2-(oxan-2-yloxy)-3-phenylpropyl]-[(1R)-1-phenylethyl]amino]acetate
CID 68826511
[3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-1-phenylbutan-2-yl]carbamic acid
CID 22593860
bis(oxan-2-yl) 2-benzylpropanedioate
CID 14723470
oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
CID 131720683
N-[(2S,3R)-4-(cyclopentylmethylamino)-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 59132104
benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
CID 118237094
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl (2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-2-yloxy)-4-phenylbutanoyl]amino]pentanoate
CID 118528158
2-(oxan-2-yloxy)-3-phenylpropanenitrile
CID 14767297

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide?
The IUPAC name of (2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide (CID 14678933) is (2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide.
What is the SMILES notation for (2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide?
The canonical SMILES for (2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide is CON(C)C(=O)[C@@H](OC1CCCCO1)[C@@H](Cc1ccccc1)NC(C)=O.
What is the InChIKey of (2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide?
The InChIKey is IFAJEKNAFDHRMU-BLAYRMRBSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-14(22)20-16(13-15-9-5-4-6-10-15)18(19(23)21(2)24-3)26-17-11-7-8-12-25-17/h4-6,9-10,16-18H,7-8,11-13H2,1-3H3,(H,20,22)/t16-,17?,18+/m1/s1.
What are the key properties of (2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide?
(2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide has a molecular weight of 364.44 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-acetamido-N-methoxy-N-methyl-2-(oxan-2-yloxy)-4-phenylbutanamide is sourced from PubChem (CID 14678933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).