N-(3-methoxypropyl)-2-methylbutanamide

C9H19NO2 — CID 4636141

IUPACN-(3-methoxypropyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCOC
InChIInChI=1S/C9H19NO2/c1-4-8(2)9(11)10-6-5-7-12-3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyBCIBRHKRPLQDKR-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.19
Rot. Bonds6

About N-(3-methoxypropyl)-2-methylbutanamide

N-(3-methoxypropyl)-2-methylbutanamide (PubChem CID 4636141) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methylbutanamide
PubChem CID4636141
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(3-methoxypropyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCOC
InChIInChI=1S/C9H19NO2/c1-4-8(2)9(11)10-6-5-7-12-3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyBCIBRHKRPLQDKR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methylbutanamide?
The IUPAC name of N-(3-methoxypropyl)-2-methylbutanamide (CID 4636141) is N-(3-methoxypropyl)-2-methylbutanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-methylbutanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-methylbutanamide is CCC(C)C(=O)NCCCOC.
What is the InChIKey of N-(3-methoxypropyl)-2-methylbutanamide?
The InChIKey is BCIBRHKRPLQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-8(2)9(11)10-6-5-7-12-3/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(3-methoxypropyl)-2-methylbutanamide?
N-(3-methoxypropyl)-2-methylbutanamide 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 N-(3-methoxypropyl)-2-methylbutanamide is sourced from PubChem (CID 4636141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).