3-(4-ethoxyphenyl)propanamide;hydrochloride

C11H16ClNO2 — CID 172679140

IUPAC3-(4-ethoxyphenyl)propanamide;hydrochloride
SMILESCCOc1ccc(CCC(N)=O)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-14-10-6-3-9(4-7-10)5-8-11(12)13;/h3-4,6-7H,2,5,8H2,1H3,(H2,12,13);1H
InChIKeyADRDRRCBCWCJTQ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.92
Rot. Bonds5

About 3-(4-ethoxyphenyl)propanamide;hydrochloride

3-(4-ethoxyphenyl)propanamide;hydrochloride (PubChem CID 172679140) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)propanamide;hydrochloride
PubChem CID172679140
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-(4-ethoxyphenyl)propanamide;hydrochloride
SMILESCCOc1ccc(CCC(N)=O)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-14-10-6-3-9(4-7-10)5-8-11(12)13;/h3-4,6-7H,2,5,8H2,1H3,(H2,12,13);1H
InChIKeyADRDRRCBCWCJTQ-UHFFFAOYSA-N
XLogP1.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide
CID 56819418
4-[(4-ethoxyphenyl)methylamino]butanamide
CID 60863018
1-(4-ethoxyphenyl)hexan-3-one
CID 64505470
2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid
CID 170185856
4-(4-ethoxyphenyl)-2-oxobutanoic acid
CID 82185773
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
4-(4-ethoxyphenyl)-1,1,1-trifluorobutan-2-one
CID 59202399
3-(3,4-diethoxyphenyl)propanamide
CID 28631811
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
3-(4-ethoxyphenyl)-N'-methylpropanehydrazide
CID 116846343
2-[(4-ethoxyphenyl)methylamino]oxyacetamide
CID 112673119
3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116847579

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-ethoxyphenyl)propanamide;hydrochloride (CID 172679140) is 3-(4-ethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-ethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-ethoxyphenyl)propanamide;hydrochloride is CCOc1ccc(CCC(N)=O)cc1.Cl.
What is the InChIKey of 3-(4-ethoxyphenyl)propanamide;hydrochloride?
The InChIKey is ADRDRRCBCWCJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-2-14-10-6-3-9(4-7-10)5-8-11(12)13;/h3-4,6-7H,2,5,8H2,1H3,(H2,12,13);1H.
What are the key properties of 3-(4-ethoxyphenyl)propanamide;hydrochloride?
3-(4-ethoxyphenyl)propanamide;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 172679140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).