(2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide

C14H28N2O2 — CID 114274947

IUPAC(2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide
SMILESC=CCCCN(C)C(=O)[C@@H](N)[C@@H](C)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-7-8-9-10-16(6)13(17)12(15)11(2)18-14(3,4)5/h7,11-12H,1,8-10,15H2,2-6H3/t11-,12+/m1/s1
InChIKeyXWNJGKSOVBBGBL-NEPJUHHUSA-N
MW256.39 g/mol
LogP1.94
Rot. Bonds7

About (2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide

(2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide (PubChem CID 114274947) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide
PubChem CID114274947
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide
SMILESC=CCCCN(C)C(=O)[C@@H](N)[C@@H](C)OC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-7-8-9-10-16(6)13(17)12(15)11(2)18-14(3,4)5/h7,11-12H,1,8-10,15H2,2-6H3/t11-,12+/m1/s1
InChIKeyXWNJGKSOVBBGBL-NEPJUHHUSA-N
XLogP1.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide?
The IUPAC name of (2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide (CID 114274947) is (2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide?
The canonical SMILES for (2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide is C=CCCCN(C)C(=O)[C@@H](N)[C@@H](C)OC(C)(C)C.
What is the InChIKey of (2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide?
The InChIKey is XWNJGKSOVBBGBL-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-7-8-9-10-16(6)13(17)12(15)11(2)18-14(3,4)5/h7,11-12H,1,8-10,15H2,2-6H3/t11-,12+/m1/s1.
What are the key properties of (2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide?
(2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-pent-4-enylbutanamide is sourced from PubChem (CID 114274947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).