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

C8H16N2O2 — CID 103154231

IUPAC4-amino-3-methoxy-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CC(CN)OC
InChIInChI=1S/C8H16N2O2/c1-3-4-10-8(11)5-7(6-9)12-2/h3,7H,1,4-6,9H2,2H3,(H,10,11)
InChIKeyRZAYPIMAGOJXET-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.35
Rot. Bonds6

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

4-amino-3-methoxy-N-prop-2-enylbutanamide (PubChem CID 103154231) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-prop-2-enylbutanamide
PubChem CID103154231
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-amino-3-methoxy-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CC(CN)OC
InChIInChI=1S/C8H16N2O2/c1-3-4-10-8(11)5-7(6-9)12-2/h3,7H,1,4-6,9H2,2H3,(H,10,11)
InChIKeyRZAYPIMAGOJXET-UHFFFAOYSA-N
XLogP-0.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
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-prop-2-enylbutanamide?
The IUPAC name of 4-amino-3-methoxy-N-prop-2-enylbutanamide (CID 103154231) is 4-amino-3-methoxy-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-prop-2-enylbutanamide?
The canonical SMILES for 4-amino-3-methoxy-N-prop-2-enylbutanamide is C=CCNC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-prop-2-enylbutanamide?
The InChIKey is RZAYPIMAGOJXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-4-10-8(11)5-7(6-9)12-2/h3,7H,1,4-6,9H2,2H3,(H,10,11).
What are the key properties of 4-amino-3-methoxy-N-prop-2-enylbutanamide?
4-amino-3-methoxy-N-prop-2-enylbutanamide has a molecular weight of 172.23 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-prop-2-enylbutanamide is sourced from PubChem (CID 103154231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).