(2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide

C15H32N2O2 — CID 153499911

IUPAC(2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide
SMILESCC[C@@H](COC)N(C)C(=O)[C@H](CC)NCCC(C)C
InChIInChI=1S/C15H32N2O2/c1-7-13(11-19-6)17(5)15(18)14(8-2)16-10-9-12(3)4/h12-14,16H,7-11H2,1-6H3/t13-,14-/m0/s1
InChIKeyQPHXYNMZUROFJR-KBPBESRZSA-N
MW272.43 g/mol
LogP2.28
Rot. Bonds10

About (2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide

(2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide (PubChem CID 153499911) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide
PubChem CID153499911
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name(2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide
SMILESCC[C@@H](COC)N(C)C(=O)[C@H](CC)NCCC(C)C
InChIInChI=1S/C15H32N2O2/c1-7-13(11-19-6)17(5)15(18)14(8-2)16-10-9-12(3)4/h12-14,16H,7-11H2,1-6H3/t13-,14-/m0/s1
InChIKeyQPHXYNMZUROFJR-KBPBESRZSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide?
The IUPAC name of (2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide (CID 153499911) is (2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide?
The canonical SMILES for (2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide is CC[C@@H](COC)N(C)C(=O)[C@H](CC)NCCC(C)C.
What is the InChIKey of (2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide?
The InChIKey is QPHXYNMZUROFJR-KBPBESRZSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-7-13(11-19-6)17(5)15(18)14(8-2)16-10-9-12(3)4/h12-14,16H,7-11H2,1-6H3/t13-,14-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide?
(2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide has a molecular weight of 272.43 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide is sourced from PubChem (CID 153499911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).