4-amino-N-butyl-3-methoxy-N-methylbutanamide

C10H22N2O2 — CID 103154155

IUPAC4-amino-N-butyl-3-methoxy-N-methylbutanamide
SMILESCCCCN(C)C(=O)CC(CN)OC
InChIInChI=1S/C10H22N2O2/c1-4-5-6-12(2)10(13)7-9(8-11)14-3/h9H,4-8,11H2,1-3H3
InChIKeyDYUWQMUSBZIQKZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.61
Rot. Bonds7

About 4-amino-N-butyl-3-methoxy-N-methylbutanamide

4-amino-N-butyl-3-methoxy-N-methylbutanamide (PubChem CID 103154155) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-amino-N-butyl-3-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-butyl-3-methoxy-N-methylbutanamide
PubChem CID103154155
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name4-amino-N-butyl-3-methoxy-N-methylbutanamide
SMILESCCCCN(C)C(=O)CC(CN)OC
InChIInChI=1S/C10H22N2O2/c1-4-5-6-12(2)10(13)7-9(8-11)14-3/h9H,4-8,11H2,1-3H3
InChIKeyDYUWQMUSBZIQKZ-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-3-methoxy-N-methylbutanamide?
The IUPAC name of 4-amino-N-butyl-3-methoxy-N-methylbutanamide (CID 103154155) is 4-amino-N-butyl-3-methoxy-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-butyl-3-methoxy-N-methylbutanamide?
The canonical SMILES for 4-amino-N-butyl-3-methoxy-N-methylbutanamide is CCCCN(C)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-butyl-3-methoxy-N-methylbutanamide?
The InChIKey is DYUWQMUSBZIQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-5-6-12(2)10(13)7-9(8-11)14-3/h9H,4-8,11H2,1-3H3.
What are the key properties of 4-amino-N-butyl-3-methoxy-N-methylbutanamide?
4-amino-N-butyl-3-methoxy-N-methylbutanamide has a molecular weight of 202.30 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-3-methoxy-N-methylbutanamide is sourced from PubChem (CID 103154155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).