(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide

C11H24N2O2 — CID 82948115

IUPAC(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
SMILESCOCCN(C(=O)[C@@H](N)C(C)C)C(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)10(12)11(14)13(9(3)4)6-7-15-5/h8-10H,6-7,12H2,1-5H3/t10-/m0/s1
InChIKeyRNBPPNQYOKEWKF-JTQLQIEISA-N
MW216.32 g/mol
LogP0.85
Rot. Bonds6

About (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide

(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide (PubChem CID 82948115) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
PubChem CID82948115
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
SMILESCOCCN(C(=O)[C@@H](N)C(C)C)C(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)10(12)11(14)13(9(3)4)6-7-15-5/h8-10H,6-7,12H2,1-5H3/t10-/m0/s1
InChIKeyRNBPPNQYOKEWKF-JTQLQIEISA-N
XLogP0.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948774
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
(2S)-2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylbutanamide
CID 61447181
2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
CID 55000825
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162971
2-amino-N-ethyl-3-methyl-N-propan-2-ylbutanamide
CID 43265863
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104908944
N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride
CID 82966552
2-(aminomethyl)-N-(2-methoxyethyl)-4,4-dimethyl-N-propan-2-ylpentanamide
CID 107472614
3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide
CID 82948415
N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide
CID 82948688
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165092

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide (CID 82948115) is (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide is COCCN(C(=O)[C@@H](N)C(C)C)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is RNBPPNQYOKEWKF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(2)10(12)11(14)13(9(3)4)6-7-15-5/h8-10H,6-7,12H2,1-5H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide?
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.85, 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-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 82948115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).