4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide

C11H22N2O2 — CID 103155207

IUPAC4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)CC(CN)OC)C(C)C
InChIInChI=1S/C11H22N2O2/c1-5-6-13(9(2)3)11(14)7-10(8-12)15-4/h5,9-10H,1,6-8,12H2,2-4H3
InChIKeyGPZOXELIMGYXKY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.77
Rot. Bonds7

About 4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide

4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide (PubChem CID 103155207) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide
PubChem CID103155207
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)CC(CN)OC)C(C)C
InChIInChI=1S/C11H22N2O2/c1-5-6-13(9(2)3)11(14)7-10(8-12)15-4/h5,9-10H,1,6-8,12H2,2-4H3
InChIKeyGPZOXELIMGYXKY-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 4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide?
The IUPAC name of 4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide (CID 103155207) is 4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide?
The canonical SMILES for 4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide is C=CCN(C(=O)CC(CN)OC)C(C)C.
What is the InChIKey of 4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide?
The InChIKey is GPZOXELIMGYXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-6-13(9(2)3)11(14)7-10(8-12)15-4/h5,9-10H,1,6-8,12H2,2-4H3.
What are the key properties of 4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide?
4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide 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 4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide is sourced from PubChem (CID 103155207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).