2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide

C11H22N2O2 — CID 106187345

IUPAC2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide
SMILESCOCCCC(N)C(=O)NCC=C(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)6-7-13-11(14)10(12)5-4-8-15-3/h6,10H,4-5,7-8,12H2,1-3H3,(H,13,14)
InChIKeyBYJVHSPPZZRRHI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.82
Rot. Bonds7

About 2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide

2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide (PubChem CID 106187345) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide
PubChem CID106187345
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide
SMILESCOCCCC(N)C(=O)NCC=C(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)6-7-13-11(14)10(12)5-4-8-15-3/h6,10H,4-5,7-8,12H2,1-3H3,(H,13,14)
InChIKeyBYJVHSPPZZRRHI-UHFFFAOYSA-N
XLogP0.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide (CID 106187345) is 2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide is COCCCC(N)C(=O)NCC=C(C)C.
What is the InChIKey of 2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide?
The InChIKey is BYJVHSPPZZRRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)6-7-13-11(14)10(12)5-4-8-15-3/h6,10H,4-5,7-8,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide?
2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide has a molecular weight of 214.31 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(3-methylbut-2-enyl)pentanamide is sourced from PubChem (CID 106187345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).