2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide

C11H22N2O2 — CID 62474437

IUPAC2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CN(CC)C(=O)C(N)CCOC
InChIInChI=1S/C11H22N2O2/c1-5-13(8-9(2)3)11(14)10(12)6-7-15-4/h10H,2,5-8,12H2,1,3-4H3
InChIKeyHKSNVPDBBLBEKQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.77
Rot. Bonds7

About 2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide

2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide (PubChem CID 62474437) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide
PubChem CID62474437
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CN(CC)C(=O)C(N)CCOC
InChIInChI=1S/C11H22N2O2/c1-5-13(8-9(2)3)11(14)10(12)6-7-15-4/h10H,2,5-8,12H2,1,3-4H3
InChIKeyHKSNVPDBBLBEKQ-UHFFFAOYSA-N
XLogP0.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide?
The IUPAC name of 2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide (CID 62474437) is 2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide?
The canonical SMILES for 2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide is C=C(C)CN(CC)C(=O)C(N)CCOC.
What is the InChIKey of 2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide?
The InChIKey is HKSNVPDBBLBEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-13(8-9(2)3)11(14)10(12)6-7-15-4/h10H,2,5-8,12H2,1,3-4H3.
What are the key properties of 2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide?
2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)butanamide is sourced from PubChem (CID 62474437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).