4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride

C12H19ClN2O2 — CID 119263924

IUPAC4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
SMILESCCOc1ccccc1NC(=O)CCCN.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-2-16-11-7-4-3-6-10(11)14-12(15)8-5-9-13;/h3-4,6-7H,2,5,8-9,13H2,1H3,(H,14,15);1H
InChIKeyNCVXFWDJOAWXTJ-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.18
Rot. Bonds6

About 4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride

4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride (PubChem CID 119263924) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
PubChem CID119263924
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
SMILESCCOc1ccccc1NC(=O)CCCN.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-2-16-11-7-4-3-6-10(11)14-12(15)8-5-9-13;/h3-4,6-7H,2,5,8-9,13H2,1H3,(H,14,15);1H
InChIKeyNCVXFWDJOAWXTJ-UHFFFAOYSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-(2-ethoxyphenyl)octanamide
CID 4158866
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
CID 174193763
CID 174193763
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
4-amino-N-(4-ethoxy-2,5-dimethylphenyl)butanamide
CID 98784399
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride (CID 119263924) is 4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride is CCOc1ccccc1NC(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride?
The InChIKey is NCVXFWDJOAWXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-2-16-11-7-4-3-6-10(11)14-12(15)8-5-9-13;/h3-4,6-7H,2,5,8-9,13H2,1H3,(H,14,15);1H.
What are the key properties of 4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride?
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119263924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).