(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide

C9H20N2O2 — CID 79023136

IUPAC(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide
SMILESCC[C@H](N)C(=O)N(C)CCCOC
InChIInChI=1S/C9H20N2O2/c1-4-8(10)9(12)11(2)6-5-7-13-3/h8H,4-7,10H2,1-3H3/t8-/m0/s1
InChIKeyXCJQGVLUVLGOCR-QMMMGPOBSA-N
MW188.27 g/mol
LogP0.22
Rot. Bonds6

About (2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide

(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide (PubChem CID 79023136) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide
PubChem CID79023136
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide
SMILESCC[C@H](N)C(=O)N(C)CCCOC
InChIInChI=1S/C9H20N2O2/c1-4-8(10)9(12)11(2)6-5-7-13-3/h8H,4-7,10H2,1-3H3/t8-/m0/s1
InChIKeyXCJQGVLUVLGOCR-QMMMGPOBSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.22
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

2-amino-N-(3-methoxypropyl)-N-methylbutanamide
CID 63010217
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
CID 63009481
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
2-amino-N-(2-hydroxyethyl)-5-methoxy-N-methylpentanamide
CID 81082818
(2S)-2-amino-N-methyl-N-propylbutanamide
CID 79025089
2-amino-3-cyclohexyl-N-(3-methoxypropyl)-N-methylpropanamide
CID 114264774
(2R)-2-amino-N-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 81055167
2-amino-N-methyl-N-pent-4-enylbutanamide
CID 115734607
2-amino-N-cyclopropyl-N-(2-methoxyethyl)butanamide
CID 60947245
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(3-methoxypropyl)-N-methylpropanamide
CID 63009303

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide (CID 79023136) is (2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide is CC[C@H](N)C(=O)N(C)CCCOC.
What is the InChIKey of (2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide?
The InChIKey is XCJQGVLUVLGOCR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-8(10)9(12)11(2)6-5-7-13-3/h8H,4-7,10H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide?
(2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide has a molecular weight of 188.27 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-methoxypropyl)-N-methylbutanamide is sourced from PubChem (CID 79023136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).