3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride

C12H19ClN2O2 — CID 119268305

IUPAC3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
SMILESCCCOc1ccccc1NC(=O)CCN.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-2-9-16-11-6-4-3-5-10(11)14-12(15)7-8-13;/h3-6H,2,7-9,13H2,1H3,(H,14,15);1H
InChIKeyYXIYFEUOJHZUSD-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.18
Rot. Bonds6

About 3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride

3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride (PubChem CID 119268305) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
PubChem CID119268305
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
SMILESCCCOc1ccccc1NC(=O)CCN.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-2-9-16-11-6-4-3-5-10(11)14-12(15)7-8-13;/h3-6H,2,7-9,13H2,1H3,(H,14,15);1H
InChIKeyYXIYFEUOJHZUSD-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
3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide;dihydrochloride
CID 119841506
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
3-(4-fluorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 31997887
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
3-(cyclopropylamino)-N-(2-propoxyphenyl)propanamide
CID 54925076
3-(furan-2-yl)-N-(2-propoxyphenyl)propanamide
CID 78772786
4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide
CID 60851317
ethyl 4-(3-aminopropanoylamino)-3-propoxybenzoate
CID 82350176

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride (CID 119268305) is 3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride is CCCOc1ccccc1NC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride?
The InChIKey is YXIYFEUOJHZUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-2-9-16-11-6-4-3-5-10(11)14-12(15)7-8-13;/h3-6H,2,7-9,13H2,1H3,(H,14,15);1H.
What are the key properties of 3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride?
3-amino-N-(2-propoxyphenyl)propanamide;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 3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119268305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).