(2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide

C12H24N2O2 — CID 61154927

IUPAC(2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)C1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)8-11(13)12(15)14(3)10-4-6-16-7-5-10/h9-11H,4-8,13H2,1-3H3/t11-/m0/s1
InChIKeyWFZVUXJDGMHGMP-NSHDSACASA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds4

About (2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide

(2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide (PubChem CID 61154927) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide
PubChem CID61154927
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)C1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)8-11(13)12(15)14(3)10-4-6-16-7-5-10/h9-11H,4-8,13H2,1-3H3/t11-/m0/s1
InChIKeyWFZVUXJDGMHGMP-NSHDSACASA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide?
The IUPAC name of (2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide (CID 61154927) is (2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide is CC(C)C[C@H](N)C(=O)N(C)C1CCOCC1.
What is the InChIKey of (2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide?
The InChIKey is WFZVUXJDGMHGMP-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)8-11(13)12(15)14(3)10-4-6-16-7-5-10/h9-11H,4-8,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide?
(2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,4-dimethyl-N-(oxan-4-yl)pentanamide is sourced from PubChem (CID 61154927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).