N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride

C20H26ClN3O2 — CID 120604204

IUPACN-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride
SMILESCc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCN)c(C)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-14-7-8-16(15(2)13-14)9-10-19(24)23-18-6-4-3-5-17(18)20(25)22-12-11-21;/h3-8,13H,9-12,21H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyPTVVDSJCTWIDBD-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.99
Rot. Bonds7

About N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride (PubChem CID 120604204) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride
PubChem CID120604204
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride
SMILESCc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCN)c(C)c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-14-7-8-16(15(2)13-14)9-10-19(24)23-18-6-4-3-5-17(18)20(25)22-12-11-21;/h3-8,13H,9-12,21H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyPTVVDSJCTWIDBD-UHFFFAOYSA-N
XLogP2.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603417
N-(2-aminoethyl)-2-[3-(2,3,5-trimethylphenoxy)propanoylamino]benzamide;hydrochloride
CID 120603313
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N-(2-aminoethyl)-2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604396
N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
CID 120603511
3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119439013
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
N-(2-aminoethyl)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]benzamide;hydrochloride
CID 120603678
N-(2-aminoethyl)-2-[[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]benzamide;hydrochloride
CID 120604073
N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride
CID 120604324
N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
CID 120603849

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride (CID 120604204) is N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride is Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCN)c(C)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride?
The InChIKey is PTVVDSJCTWIDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-14-7-8-16(15(2)13-14)9-10-19(24)23-18-6-4-3-5-17(18)20(25)22-12-11-21;/h3-8,13H,9-12,21H2,1-2H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride is sourced from PubChem (CID 120604204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).