4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride

C14H23ClN2O2 — CID 119317380

IUPAC4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
SMILESCCOc1ccccc1CCNC(=O)CCCN.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-2-18-13-7-4-3-6-12(13)9-11-16-14(17)8-5-10-15;/h3-4,6-7H,2,5,8-11,15H2,1H3,(H,16,17);1H
InChIKeyBSXLUVKSOBQQRS-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.90
Rot. Bonds8

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

4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride (PubChem CID 119317380) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
PubChem CID119317380
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
SMILESCCOc1ccccc1CCNC(=O)CCCN.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-2-18-13-7-4-3-6-12(13)9-11-16-14(17)8-5-10-15;/h3-4,6-7H,2,5,8-11,15H2,1H3,(H,16,17);1H
InChIKeyBSXLUVKSOBQQRS-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride (CID 119317380) is 4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride is CCOc1ccccc1CCNC(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride?
The InChIKey is BSXLUVKSOBQQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-2-18-13-7-4-3-6-12(13)9-11-16-14(17)8-5-10-15;/h3-4,6-7H,2,5,8-11,15H2,1H3,(H,16,17);1H.
What are the key properties of 4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride?
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119317380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).