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

C21H28ClN3O2 — CID 120886301

IUPACN-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-16(2)20(25)23-19-10-8-18(9-11-19)21(26)24(15-13-22)14-12-17-6-4-3-5-7-17;/h3-11,16H,12-15,22H2,1-2H3,(H,23,25);1H
InChIKeyIWYMXCCFOXWRLV-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.35
Rot. Bonds8

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

N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride (PubChem CID 120886301) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride
PubChem CID120886301
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC NameN-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-16(2)20(25)23-19-10-8-18(9-11-19)21(26)24(15-13-22)14-12-17-6-4-3-5-7-17;/h3-11,16H,12-15,22H2,1-2H3,(H,23,25);1H
InChIKeyIWYMXCCFOXWRLV-UHFFFAOYSA-N
XLogP3.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884759
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120886326
N-(2-aminoethyl)-N-(2-phenylethyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 120884588
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
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N,N-dipropylbenzamide;hydrochloride
CID 119282808
2-[2-phenylethyl-[4-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid
CID 119347559
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-6-[ethyl(propan-2-yl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120886727
N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886409

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride (CID 120886301) is N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride is CC(C)C(=O)Nc1ccc(C(=O)N(CCN)CCc2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride?
The InChIKey is IWYMXCCFOXWRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-16(2)20(25)23-19-10-8-18(9-11-19)21(26)24(15-13-22)14-12-17-6-4-3-5-7-17;/h3-11,16H,12-15,22H2,1-2H3,(H,23,25);1H.
What are the key properties of N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride?
N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(2-methylpropanoylamino)-N-(2-phenylethyl)benzamide;hydrochloride is sourced from PubChem (CID 120886301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).