4-[3-(benzylamino)propoxy]-N-methylbutanamide

C15H24N2O2 — CID 114782847

IUPAC4-[3-(benzylamino)propoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOCCCNCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-16-15(18)9-5-11-19-12-6-10-17-13-14-7-3-2-4-8-14/h2-4,7-8,17H,5-6,9-13H2,1H3,(H,16,18)
InChIKeySPHLNFFTQCCUJZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.71
Rot. Bonds10

About 4-[3-(benzylamino)propoxy]-N-methylbutanamide

4-[3-(benzylamino)propoxy]-N-methylbutanamide (PubChem CID 114782847) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[3-(benzylamino)propoxy]-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-(benzylamino)propoxy]-N-methylbutanamide
PubChem CID114782847
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[3-(benzylamino)propoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOCCCNCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-16-15(18)9-5-11-19-12-6-10-17-13-14-7-3-2-4-8-14/h2-4,7-8,17H,5-6,9-13H2,1H3,(H,16,18)
InChIKeySPHLNFFTQCCUJZ-UHFFFAOYSA-N
XLogP1.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.71
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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Related Compounds

4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide
CID 114783037
methyl 3-[3-(benzylamino)propoxy]propanoate
CID 106940927
N-benzyl-3-(2-methylsulfonylethoxy)propan-1-amine
CID 114782832
2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide
CID 114782995
3-(benzylamino)propyl benzoate
CID 67562495
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
4-[3-(benzylamino)propoxy]butanenitrile
CID 114782907
3-(benzylamino)propyl tert-butyl carbonate
CID 82533606
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
3-[[3-(2-phenylethoxy)propylamino]methyl]benzoic acid
CID 122030496
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122

Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzylamino)propoxy]-N-methylbutanamide?
The IUPAC name of 4-[3-(benzylamino)propoxy]-N-methylbutanamide (CID 114782847) is 4-[3-(benzylamino)propoxy]-N-methylbutanamide.
What is the SMILES notation for 4-[3-(benzylamino)propoxy]-N-methylbutanamide?
The canonical SMILES for 4-[3-(benzylamino)propoxy]-N-methylbutanamide is CNC(=O)CCCOCCCNCc1ccccc1.
What is the InChIKey of 4-[3-(benzylamino)propoxy]-N-methylbutanamide?
The InChIKey is SPHLNFFTQCCUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16-15(18)9-5-11-19-12-6-10-17-13-14-7-3-2-4-8-14/h2-4,7-8,17H,5-6,9-13H2,1H3,(H,16,18).
What are the key properties of 4-[3-(benzylamino)propoxy]-N-methylbutanamide?
4-[3-(benzylamino)propoxy]-N-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.71, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzylamino)propoxy]-N-methylbutanamide is sourced from PubChem (CID 114782847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).