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

C15H25ClN2O2 — CID 120586847

IUPAC4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
SMILESCCCN(Cc1ccccc1)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-3-9-17(12-13-7-5-4-6-8-13)15(18)10-14(11-16)19-2;/h4-8,14H,3,9-12,16H2,1-2H3;1H
InChIKeyRYNYRPLGIISFDM-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.21
Rot. Bonds8

About 4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride

4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride (PubChem CID 120586847) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
PubChem CID120586847
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
SMILESCCCN(Cc1ccccc1)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-3-9-17(12-13-7-5-4-6-8-13)15(18)10-14(11-16)19-2;/h4-8,14H,3,9-12,16H2,1-2H3;1H
InChIKeyRYNYRPLGIISFDM-UHFFFAOYSA-N
XLogP2.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120586577
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
CID 103155115
4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120589443
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
4-amino-3-methoxy-N-phenyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120590469
4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride
CID 120587303
4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 120588742
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride
CID 120591084
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890
4-amino-N-ethyl-3-methoxy-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
CID 120593580

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride (CID 120586847) is 4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride is CCCN(Cc1ccccc1)C(=O)CC(CN)OC.Cl.
What is the InChIKey of 4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride?
The InChIKey is RYNYRPLGIISFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-3-9-17(12-13-7-5-4-6-8-13)15(18)10-14(11-16)19-2;/h4-8,14H,3,9-12,16H2,1-2H3;1H.
What are the key properties of 4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride?
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride is sourced from PubChem (CID 120586847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).