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

C13H19ClN2O2 — CID 3024739

IUPACN-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)C(C)N(C)C)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-9(15(3)4)13(17)11-5-7-12(8-6-11)14-10(2)16;/h5-9H,1-4H3,(H,14,16);1H
InChIKeyFZIRCGCDTAKJQS-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.20
Rot. Bonds4

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

N-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride (PubChem CID 3024739) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride
PubChem CID3024739
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)C(C)N(C)C)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-9(15(3)4)13(17)11-5-7-12(8-6-11)14-10(2)16;/h5-9H,1-4H3,(H,14,16);1H
InChIKeyFZIRCGCDTAKJQS-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride (CID 3024739) is N-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(C(=O)C(C)N(C)C)cc1.Cl.
What is the InChIKey of N-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride?
The InChIKey is FZIRCGCDTAKJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-9(15(3)4)13(17)11-5-7-12(8-6-11)14-10(2)16;/h5-9H,1-4H3,(H,14,16);1H.
What are the key properties of N-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride?
N-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)propanoyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 3024739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).