4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride

C19H23ClN2O2 — CID 120885633

IUPAC4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCC(=O)c1ccc(C(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-15(22)17-7-9-18(10-8-17)19(23)21(14-12-20)13-11-16-5-3-2-4-6-16;/h2-10H,11-14,20H2,1H3;1H
InChIKeyFBHCPLMKSFVRLD-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.95
Rot. Bonds7

About 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride

4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride (PubChem CID 120885633) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
PubChem CID120885633
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCC(=O)c1ccc(C(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-15(22)17-7-9-18(10-8-17)19(23)21(14-12-20)13-11-16-5-3-2-4-6-16;/h2-10H,11-14,20H2,1H3;1H
InChIKeyFBHCPLMKSFVRLD-UHFFFAOYSA-N
XLogP2.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884759
N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886301
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120886326
4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 120885992
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910
N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide
CID 120884964
N-(2-aminoethyl)-N-(2-phenylethyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 120884588
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886409

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride?
The IUPAC name of 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride (CID 120885633) is 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride is CC(=O)c1ccc(C(=O)N(CCN)CCc2ccccc2)cc1.Cl.
What is the InChIKey of 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride?
The InChIKey is FBHCPLMKSFVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c1-15(22)17-7-9-18(10-8-17)19(23)21(14-12-20)13-11-16-5-3-2-4-6-16;/h2-10H,11-14,20H2,1H3;1H.
What are the key properties of 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride?
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride is sourced from PubChem (CID 120885633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).