2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide

C17H28N2O2 — CID 114782995

IUPAC2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COCCCNCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-3-8-15(2)19-17(20)14-21-12-7-11-18-13-16-9-5-4-6-10-16/h4-6,9-10,15,18H,3,7-8,11-14H2,1-2H3,(H,19,20)
InChIKeyUZVHUTTZRGSTCW-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.49
Rot. Bonds11

About 2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide

2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide (PubChem CID 114782995) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide
PubChem CID114782995
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COCCCNCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-3-8-15(2)19-17(20)14-21-12-7-11-18-13-16-9-5-4-6-10-16/h4-6,9-10,15,18H,3,7-8,11-14H2,1-2H3,(H,19,20)
InChIKeyUZVHUTTZRGSTCW-UHFFFAOYSA-N
XLogP2.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.49
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-methylbutanamide
CID 114782847
methyl 3-[3-(benzylamino)propoxy]propanoate
CID 106940927
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7372940
azane;N-benzylbutan-1-amine
CID 175388745
(2S)-2-[(2-pentoxyacetyl)amino]-3-phenylpropanoic acid
CID 119366667
4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide
CID 114783037
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573103
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide (CID 114782995) is 2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COCCCNCc1ccccc1.
What is the InChIKey of 2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide?
The InChIKey is UZVHUTTZRGSTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-8-15(2)19-17(20)14-21-12-7-11-18-13-16-9-5-4-6-10-16/h4-6,9-10,15,18H,3,7-8,11-14H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide?
2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.49, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide is sourced from PubChem (CID 114782995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).