2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide

C12H22N2O2 — CID 81081250

IUPAC2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide
SMILESC=CCN(CC=C)C(=O)C(N)CCCOC
InChIInChI=1S/C12H22N2O2/c1-4-8-14(9-5-2)12(15)11(13)7-6-10-16-3/h4-5,11H,1-2,6-10,13H2,3H3
InChIKeyZMTIBXOAIIHEAO-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.94
Rot. Bonds9

About 2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide

2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide (PubChem CID 81081250) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide
PubChem CID81081250
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide
SMILESC=CCN(CC=C)C(=O)C(N)CCCOC
InChIInChI=1S/C12H22N2O2/c1-4-8-14(9-5-2)12(15)11(13)7-6-10-16-3/h4-5,11H,1-2,6-10,13H2,3H3
InChIKeyZMTIBXOAIIHEAO-UHFFFAOYSA-N
XLogP0.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
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,N-bis(prop-2-enyl)pentanamide?
The IUPAC name of 2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide (CID 81081250) is 2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide?
The canonical SMILES for 2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide is C=CCN(CC=C)C(=O)C(N)CCCOC.
What is the InChIKey of 2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide?
The InChIKey is ZMTIBXOAIIHEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-8-14(9-5-2)12(15)11(13)7-6-10-16-3/h4-5,11H,1-2,6-10,13H2,3H3.
What are the key properties of 2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide?
2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide has a molecular weight of 226.32 g/mol, XLogP of 0.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N,N-bis(prop-2-enyl)pentanamide is sourced from PubChem (CID 81081250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).