N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride

C13H19ClN2O2 — CID 3024737

IUPACN-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride
SMILESCCNC(C)C(=O)c1ccc(NC(C)=O)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-4-14-9(2)13(17)11-5-7-12(8-6-11)15-10(3)16;/h5-9,14H,4H2,1-3H3,(H,15,16);1H
InChIKeyICEOFBNTFFKCED-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.25
Rot. Bonds5

About N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride

N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride (PubChem CID 3024737) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride
PubChem CID3024737
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride
SMILESCCNC(C)C(=O)c1ccc(NC(C)=O)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-4-14-9(2)13(17)11-5-7-12(8-6-11)15-10(3)16;/h5-9,14H,4H2,1-3H3,(H,15,16);1H
InChIKeyICEOFBNTFFKCED-UHFFFAOYSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride (CID 3024737) is N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride is CCNC(C)C(=O)c1ccc(NC(C)=O)cc1.Cl.
What is the InChIKey of N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride?
The InChIKey is ICEOFBNTFFKCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-4-14-9(2)13(17)11-5-7-12(8-6-11)15-10(3)16;/h5-9,14H,4H2,1-3H3,(H,15,16);1H.
What are the key properties of N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride?
N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)propanoyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 3024737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).