4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide

C16H26N2O2 — CID 114783037

IUPAC4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOCCCNCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-18(2)16(19)10-6-12-20-13-7-11-17-14-15-8-4-3-5-9-15/h3-5,8-9,17H,6-7,10-14H2,1-2H3
InChIKeyWUIYMOKDSONFBL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.05
Rot. Bonds10

About 4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide

4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide (PubChem CID 114783037) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide
PubChem CID114783037
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCOCCCNCc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-18(2)16(19)10-6-12-20-13-7-11-17-14-15-8-4-3-5-9-15/h3-5,8-9,17H,6-7,10-14H2,1-2H3
InChIKeyWUIYMOKDSONFBL-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
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
4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide
CID 54941099
N-benzyl-3-(2-methylsulfonylethoxy)propan-1-amine
CID 114782832
3-(benzylamino)propyl benzoate
CID 67562495
4-[3-(benzylamino)propoxy]butanenitrile
CID 114782907
4-[(3-ethoxypropylamino)methyl]benzoic acid;hydrochloride
CID 17157552
ethyl 5-(benzylamino)pentanoate;hydrochloride
CID 6602878
3-(benzylamino)propyl tert-butyl carbonate
CID 82533606
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 54935244
2-[3-(benzylamino)propoxy]-N-pentan-2-ylacetamide
CID 114782995

Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide?
The IUPAC name of 4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide (CID 114783037) is 4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide is CN(C)C(=O)CCCOCCCNCc1ccccc1.
What is the InChIKey of 4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide?
The InChIKey is WUIYMOKDSONFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18(2)16(19)10-6-12-20-13-7-11-17-14-15-8-4-3-5-9-15/h3-5,8-9,17H,6-7,10-14H2,1-2H3.
What are the key properties of 4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide?
4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 2.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzylamino)propoxy]-N,N-dimethylbutanamide is sourced from PubChem (CID 114783037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).