4-amino-3-methoxy-N-propylbutanamide

C8H18N2O2 — CID 103154036

IUPAC4-amino-3-methoxy-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)OC
InChIInChI=1S/C8H18N2O2/c1-3-4-10-8(11)5-7(6-9)12-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyVSBAYSGYJPSUEG-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.12
Rot. Bonds6

About 4-amino-3-methoxy-N-propylbutanamide

4-amino-3-methoxy-N-propylbutanamide (PubChem CID 103154036) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-propylbutanamide
PubChem CID103154036
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name4-amino-3-methoxy-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)OC
InChIInChI=1S/C8H18N2O2/c1-3-4-10-8(11)5-7(6-9)12-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyVSBAYSGYJPSUEG-UHFFFAOYSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-propylbutanamide?
The IUPAC name of 4-amino-3-methoxy-N-propylbutanamide (CID 103154036) is 4-amino-3-methoxy-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-propylbutanamide?
The canonical SMILES for 4-amino-3-methoxy-N-propylbutanamide is CCCNC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-propylbutanamide?
The InChIKey is VSBAYSGYJPSUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-4-10-8(11)5-7(6-9)12-2/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 4-amino-3-methoxy-N-propylbutanamide?
4-amino-3-methoxy-N-propylbutanamide has a molecular weight of 174.24 g/mol, XLogP of -0.12, 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-propylbutanamide is sourced from PubChem (CID 103154036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).