(2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide

C15H29NO4 — CID 139893645

IUPAC(2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide
SMILESCC(C)[C@@H](O)[C@H](C(=O)NOC1CCCCO1)C(C)(C)C
InChIInChI=1S/C15H29NO4/c1-10(2)13(17)12(15(3,4)5)14(18)16-20-11-8-6-7-9-19-11/h10-13,17H,6-9H2,1-5H3,(H,16,18)/t11?,12-,13-/m1/s1
InChIKeyAKJJFTTUDNZXIX-VFRRUGBOSA-N
MW287.40 g/mol
LogP2.24
Rot. Bonds5

About (2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide

(2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide (PubChem CID 139893645) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide.

Molecular Properties

Compound Name(2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide
PubChem CID139893645
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name(2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide
SMILESCC(C)[C@@H](O)[C@H](C(=O)NOC1CCCCO1)C(C)(C)C
InChIInChI=1S/C15H29NO4/c1-10(2)13(17)12(15(3,4)5)14(18)16-20-11-8-6-7-9-19-11/h10-13,17H,6-9H2,1-5H3,(H,16,18)/t11?,12-,13-/m1/s1
InChIKeyAKJJFTTUDNZXIX-VFRRUGBOSA-N
XLogP2.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide?
The IUPAC name of (2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide (CID 139893645) is (2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide.
What is the SMILES notation for (2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide?
The canonical SMILES for (2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide is CC(C)[C@@H](O)[C@H](C(=O)NOC1CCCCO1)C(C)(C)C.
What is the InChIKey of (2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide?
The InChIKey is AKJJFTTUDNZXIX-VFRRUGBOSA-N. The full InChI is InChI=1S/C15H29NO4/c1-10(2)13(17)12(15(3,4)5)14(18)16-20-11-8-6-7-9-19-11/h10-13,17H,6-9H2,1-5H3,(H,16,18)/t11?,12-,13-/m1/s1.
What are the key properties of (2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide?
(2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide has a molecular weight of 287.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-tert-butyl-3-hydroxy-4-methyl-N-(oxan-2-yloxy)pentanamide is sourced from PubChem (CID 139893645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).