(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide

C13H28N2O3 — CID 82966284

IUPAC(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
SMILESCCOCCN(CCOCC)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C13H28N2O3/c1-5-17-9-7-15(8-10-18-6-2)13(16)12(14)11(3)4/h11-12H,5-10,14H2,1-4H3/t12-/m1/s1
InChIKeyGASKGRZEGLIZKV-GFCCVEGCSA-N
MW260.38 g/mol
LogP0.87
Rot. Bonds10

About (2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide

(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide (PubChem CID 82966284) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is (2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
PubChem CID82966284
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
SMILESCCOCCN(CCOCC)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C13H28N2O3/c1-5-17-9-7-15(8-10-18-6-2)13(16)12(14)11(3)4/h11-12H,5-10,14H2,1-4H3/t12-/m1/s1
InChIKeyGASKGRZEGLIZKV-GFCCVEGCSA-N
XLogP0.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylbutanamide
CID 79013546
(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
CID 63690931
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
(2S)-2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylbutanamide
CID 61447181
(2S)-2-amino-N,N-dibutyl-3-methylbutanamide
CID 28983163
N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 82938492
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
(2R)-2-amino-N-(2-hydroxyethyl)-3-methyl-N-propylbutanamide
CID 79012704
2-bromo-N,N-bis(2-ethoxyethyl)butanamide
CID 82966254
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162971
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
3-amino-N,N-bis(2-ethoxyethyl)pentanamide
CID 82966276

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide (CID 82966284) is (2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide is CCOCCN(CCOCC)C(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide?
The InChIKey is GASKGRZEGLIZKV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-17-9-7-15(8-10-18-6-2)13(16)12(14)11(3)4/h11-12H,5-10,14H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide?
(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide has a molecular weight of 260.38 g/mol, XLogP of 0.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide is sourced from PubChem (CID 82966284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).