(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide

C11H24N2O3 — CID 104861622

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(CCO)CCOC
InChIInChI=1S/C11H24N2O3/c1-4-9(2)10(12)11(15)13(5-7-14)6-8-16-3/h9-10,14H,4-8,12H2,1-3H3/t9?,10-/m0/s1
InChIKeyBVMKOEYMKYQAHK-AXDSSHIGSA-N
MW232.32 g/mol
LogP-0.17
Rot. Bonds8

About (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide

(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide (PubChem CID 104861622) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide
PubChem CID104861622
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(CCO)CCOC
InChIInChI=1S/C11H24N2O3/c1-4-9(2)10(12)11(15)13(5-7-14)6-8-16-3/h9-10,14H,4-8,12H2,1-3H3/t9?,10-/m0/s1
InChIKeyBVMKOEYMKYQAHK-AXDSSHIGSA-N
XLogP-0.17
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide
CID 54880078
2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylpentanamide
CID 61446871
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylpentanamide
CID 54871190
(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570616
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pentanamide
CID 107570615
(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylpentanamide
CID 104904000
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
CID 55000825
(2S)-2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylbutanamide
CID 61447181
2,2-difluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 103513987
(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
CID 63690931
(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
CID 63009481

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide (CID 104861622) is (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)N(CCO)CCOC.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide?
The InChIKey is BVMKOEYMKYQAHK-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-4-9(2)10(12)11(15)13(5-7-14)6-8-16-3/h9-10,14H,4-8,12H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide has a molecular weight of 232.32 g/mol, XLogP of -0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methylpentanamide is sourced from PubChem (CID 104861622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).