(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide

C11H24N2O2 — CID 63009481

IUPAC(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)CCCOC
InChIInChI=1S/C11H24N2O2/c1-5-9(2)10(12)11(14)13(3)7-6-8-15-4/h9-10H,5-8,12H2,1-4H3/t9-,10-/m0/s1
InChIKeyMFGPREQRBRBIPR-UWVGGRQHSA-N
MW216.32 g/mol
LogP0.85
Rot. Bonds7

About (2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide

(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide (PubChem CID 63009481) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
PubChem CID63009481
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)CCCOC
InChIInChI=1S/C11H24N2O2/c1-5-9(2)10(12)11(14)13(3)7-6-8-15-4/h9-10H,5-8,12H2,1-4H3/t9-,10-/m0/s1
InChIKeyMFGPREQRBRBIPR-UWVGGRQHSA-N
XLogP0.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 79023136
2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 63010217
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide
CID 54880078
2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 54874167
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylpentanamide
CID 61446871
2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
CID 55000825
2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858979
(2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide
CID 61174046
2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide
CID 119753811
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
CID 61172289

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide (CID 63009481) is (2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide is CC[C@H](C)[C@H](N)C(=O)N(C)CCCOC.
What is the InChIKey of (2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide?
The InChIKey is MFGPREQRBRBIPR-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-9(2)10(12)11(14)13(3)7-6-8-15-4/h9-10H,5-8,12H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide?
(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide has a molecular weight of 216.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide is sourced from PubChem (CID 63009481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).