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3-amino-N-benzyl-N-propylbutanamide;hydrochloride

C14H23ClN2O — CID 119681635

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-amino-N-benzyl-N-propylbutanamide;hydrochloride
SMILESCCCN(Cc1ccccc1)C(=O)CC(C)N.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-3-9-16(14(17)10-12(2)15)11-13-7-5-4-6-8-13;/h4-8,12H,3,9-11,15H2,1-2H3;1H
InChIKeyXXVOZKUGWLYCPL-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.58
Rot. Bonds6

About 3-amino-N-benzyl-N-propylbutanamide;hydrochloride

3-amino-N-benzyl-N-propylbutanamide;hydrochloride (PubChem CID 119681635) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-propylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-benzyl-N-propylbutanamide;hydrochloride
PubChem CID119681635
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name3-amino-N-benzyl-N-propylbutanamide;hydrochloride
SMILESCCCN(Cc1ccccc1)C(=O)CC(C)N.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-3-9-16(14(17)10-12(2)15)11-13-7-5-4-6-8-13;/h4-8,12H,3,9-11,15H2,1-2H3;1H
InChIKeyXXVOZKUGWLYCPL-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-propylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-benzyl-N-propylbutanamide;hydrochloride (CID 119681635) is 3-amino-N-benzyl-N-propylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-benzyl-N-propylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-benzyl-N-propylbutanamide;hydrochloride is CCCN(Cc1ccccc1)C(=O)CC(C)N.Cl.
What is the InChIKey of 3-amino-N-benzyl-N-propylbutanamide;hydrochloride?
The InChIKey is XXVOZKUGWLYCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-3-9-16(14(17)10-12(2)15)11-13-7-5-4-6-8-13;/h4-8,12H,3,9-11,15H2,1-2H3;1H.
What are the key properties of 3-amino-N-benzyl-N-propylbutanamide;hydrochloride?
3-amino-N-benzyl-N-propylbutanamide;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-propylbutanamide;hydrochloride is sourced from PubChem (CID 119681635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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