N-(2-methoxypropyl)-4-(methylamino)butanamide

C9H20N2O2 — CID 102695098

IUPACN-(2-methoxypropyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(C)OC
InChIInChI=1S/C9H20N2O2/c1-8(13-3)7-11-9(12)5-4-6-10-2/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyWOEKNBAEJBZLCM-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.14
Rot. Bonds7

About N-(2-methoxypropyl)-4-(methylamino)butanamide

N-(2-methoxypropyl)-4-(methylamino)butanamide (PubChem CID 102695098) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(2-methoxypropyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-4-(methylamino)butanamide
PubChem CID102695098
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-(2-methoxypropyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(C)OC
InChIInChI=1S/C9H20N2O2/c1-8(13-3)7-11-9(12)5-4-6-10-2/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyWOEKNBAEJBZLCM-UHFFFAOYSA-N
XLogP0.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxypropyl)-4-(methylamino)butanamide?
The IUPAC name of N-(2-methoxypropyl)-4-(methylamino)butanamide (CID 102695098) is N-(2-methoxypropyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(2-methoxypropyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(2-methoxypropyl)-4-(methylamino)butanamide is CNCCCC(=O)NCC(C)OC.
What is the InChIKey of N-(2-methoxypropyl)-4-(methylamino)butanamide?
The InChIKey is WOEKNBAEJBZLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(13-3)7-11-9(12)5-4-6-10-2/h8,10H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-(2-methoxypropyl)-4-(methylamino)butanamide?
N-(2-methoxypropyl)-4-(methylamino)butanamide has a molecular weight of 188.27 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-4-(methylamino)butanamide is sourced from PubChem (CID 102695098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).