3-methoxy-N-(3-methylbutyl)propanamide

C9H19NO2 — CID 58394683

IUPAC3-methoxy-N-(3-methylbutyl)propanamide
SMILESCOCCC(=O)NCCC(C)C
InChIInChI=1S/C9H19NO2/c1-8(2)4-6-10-9(11)5-7-12-3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyBONYYEZNMWDITD-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.19
Rot. Bonds6

About 3-methoxy-N-(3-methylbutyl)propanamide

3-methoxy-N-(3-methylbutyl)propanamide (PubChem CID 58394683) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-methoxy-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methylbutyl)propanamide
PubChem CID58394683
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-methoxy-N-(3-methylbutyl)propanamide
SMILESCOCCC(=O)NCCC(C)C
InChIInChI=1S/C9H19NO2/c1-8(2)4-6-10-9(11)5-7-12-3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyBONYYEZNMWDITD-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-methoxy-N-(3-methylbutyl)propanamide (CID 58394683) is 3-methoxy-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-methoxy-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-methoxy-N-(3-methylbutyl)propanamide is COCCC(=O)NCCC(C)C.
What is the InChIKey of 3-methoxy-N-(3-methylbutyl)propanamide?
The InChIKey is BONYYEZNMWDITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)4-6-10-9(11)5-7-12-3/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of 3-methoxy-N-(3-methylbutyl)propanamide?
3-methoxy-N-(3-methylbutyl)propanamide has a molecular weight of 173.26 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 58394683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).