(3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide

C13H26N2O2 — CID 67291396

IUPAC(3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide
SMILESCCC(C)[C@H](N)CC(=O)NCC1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-10(2)12(14)8-13(16)15-9-11-4-6-17-7-5-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t10?,12-/m1/s1
InChIKeySKTJDTBBGJUWEO-TVKKRMFBSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds6

About (3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide

(3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide (PubChem CID 67291396) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide
PubChem CID67291396
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide
SMILESCCC(C)[C@H](N)CC(=O)NCC1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-3-10(2)12(14)8-13(16)15-9-11-4-6-17-7-5-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t10?,12-/m1/s1
InChIKeySKTJDTBBGJUWEO-TVKKRMFBSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide?
The IUPAC name of (3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide (CID 67291396) is (3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide.
What is the SMILES notation for (3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide?
The canonical SMILES for (3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide is CCC(C)[C@H](N)CC(=O)NCC1CCOCC1.
What is the InChIKey of (3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide?
The InChIKey is SKTJDTBBGJUWEO-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-10(2)12(14)8-13(16)15-9-11-4-6-17-7-5-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t10?,12-/m1/s1.
What are the key properties of (3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide?
(3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-methyl-N-(oxan-4-ylmethyl)hexanamide is sourced from PubChem (CID 67291396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).