(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide

C15H30N2O2 — CID 83029138

IUPAC(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C15H30N2O2/c1-5-11(4)13(16)14(18)17-12-8-9-19-15(6-2,7-3)10-12/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t11?,12?,13-/m0/s1
InChIKeyJDZUIOSILPUZHA-BPCQOVAHSA-N
MW270.42 g/mol
LogP2.21
Rot. Bonds6

About (2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide

(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide (PubChem CID 83029138) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide
PubChem CID83029138
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC1CCOC(CC)(CC)C1
InChIInChI=1S/C15H30N2O2/c1-5-11(4)13(16)14(18)17-12-8-9-19-15(6-2,7-3)10-12/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t11?,12?,13-/m0/s1
InChIKeyJDZUIOSILPUZHA-BPCQOVAHSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide (CID 83029138) is (2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NC1CCOC(CC)(CC)C1.
What is the InChIKey of (2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide?
The InChIKey is JDZUIOSILPUZHA-BPCQOVAHSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-11(4)13(16)14(18)17-12-8-9-19-15(6-2,7-3)10-12/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide?
(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide has a molecular weight of 270.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide is sourced from PubChem (CID 83029138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).