4-amino-N-benzyl-N-propylbutanamide

C14H22N2O — CID 43588666

IUPAC4-amino-N-benzyl-N-propylbutanamide
SMILESCCCN(Cc1ccccc1)C(=O)CCCN
InChIInChI=1S/C14H22N2O/c1-2-11-16(14(17)9-6-10-15)12-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,15H2,1H3
InChIKeyFZDCWXYEKIVGHR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.16
Rot. Bonds7

About 4-amino-N-benzyl-N-propylbutanamide

4-amino-N-benzyl-N-propylbutanamide (PubChem CID 43588666) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-propylbutanamide
PubChem CID43588666
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-N-benzyl-N-propylbutanamide
SMILESCCCN(Cc1ccccc1)C(=O)CCCN
InChIInChI=1S/C14H22N2O/c1-2-11-16(14(17)9-6-10-15)12-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,15H2,1H3
InChIKeyFZDCWXYEKIVGHR-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
CID 82103781
4-amino-N,N-dipropylbutanamide
CID 12835718
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-propylbutanamide?
The IUPAC name of 4-amino-N-benzyl-N-propylbutanamide (CID 43588666) is 4-amino-N-benzyl-N-propylbutanamide.
What is the SMILES notation for 4-amino-N-benzyl-N-propylbutanamide?
The canonical SMILES for 4-amino-N-benzyl-N-propylbutanamide is CCCN(Cc1ccccc1)C(=O)CCCN.
What is the InChIKey of 4-amino-N-benzyl-N-propylbutanamide?
The InChIKey is FZDCWXYEKIVGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-11-16(14(17)9-6-10-15)12-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12,15H2,1H3.
What are the key properties of 4-amino-N-benzyl-N-propylbutanamide?
4-amino-N-benzyl-N-propylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-propylbutanamide is sourced from PubChem (CID 43588666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).