3-amino-N-(4-ethylphenyl)butanamide;hydrochloride

C12H19ClN2O — CID 119674065

IUPAC3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
SMILESCCc1ccc(NC(=O)CC(C)N)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-3-10-4-6-11(7-5-10)14-12(15)8-9(2)13;/h4-7,9H,3,8,13H2,1-2H3,(H,14,15);1H
InChIKeyJLADCFRXUSHJAH-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.35
Rot. Bonds4

About 3-amino-N-(4-ethylphenyl)butanamide;hydrochloride

3-amino-N-(4-ethylphenyl)butanamide;hydrochloride (PubChem CID 119674065) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-amino-N-(4-ethylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
PubChem CID119674065
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
SMILESCCc1ccc(NC(=O)CC(C)N)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-3-10-4-6-11(7-5-10)14-12(15)8-9(2)13;/h4-7,9H,3,8,13H2,1-2H3,(H,14,15);1H
InChIKeyJLADCFRXUSHJAH-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
3-amino-N-[4-(2-methylsulfanylethyl)phenyl]butanamide;hydrochloride
CID 119769613
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467
4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride
CID 119714141
3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide
CID 120873362
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
3-amino-N-(3-ethyl-4-methylphenyl)butanamide
CID 120874215

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethylphenyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-ethylphenyl)butanamide;hydrochloride (CID 119674065) is 3-amino-N-(4-ethylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-ethylphenyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-ethylphenyl)butanamide;hydrochloride is CCc1ccc(NC(=O)CC(C)N)cc1.Cl.
What is the InChIKey of 3-amino-N-(4-ethylphenyl)butanamide;hydrochloride?
The InChIKey is JLADCFRXUSHJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-3-10-4-6-11(7-5-10)14-12(15)8-9(2)13;/h4-7,9H,3,8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 3-amino-N-(4-ethylphenyl)butanamide;hydrochloride?
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119674065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).