4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride

C22H32Cl2N4O2 — CID 120669281

IUPAC4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C(N)c2ccc(C)cc2)cc1.Cl.Cl
InChIInChI=1S/C22H30N4O2.2ClH/c1-4-26(5-2)15-14-24-21(27)18-10-12-19(13-11-18)25-22(28)20(23)17-8-6-16(3)7-9-17;;/h6-13,20H,4-5,14-15,23H2,1-3H3,(H,24,27)(H,25,28);2*1H
InChIKeySJBLATIIOOKGGN-UHFFFAOYSA-N
MW455.43 g/mol
LogP3.55
Rot. Bonds9

About 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride

4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride (PubChem CID 120669281) has the molecular formula C22H32Cl2N4O2 and a molecular weight of 455.43 g/mol. Its IUPAC name is 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
PubChem CID120669281
Molecular FormulaC22H32Cl2N4O2
Molecular Weight455.43 g/mol
Exact Mass454.19
IUPAC Name4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C(N)c2ccc(C)cc2)cc1.Cl.Cl
InChIInChI=1S/C22H30N4O2.2ClH/c1-4-26(5-2)15-14-24-21(27)18-10-12-19(13-11-18)25-22(28)20(23)17-8-6-16(3)7-9-17;;/h6-13,20H,4-5,14-15,23H2,1-3H3,(H,24,27)(H,25,28);2*1H
InChIKeySJBLATIIOOKGGN-UHFFFAOYSA-N
XLogP3.55
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827857
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119827831
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 120667626
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17229797
N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide
CID 108789964
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535
4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827819

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
The IUPAC name of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride (CID 120669281) is 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride is CCN(CC)CCNC(=O)c1ccc(NC(=O)C(N)c2ccc(C)cc2)cc1.Cl.Cl.
What is the InChIKey of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
The InChIKey is SJBLATIIOOKGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2.2ClH/c1-4-26(5-2)15-14-24-21(27)18-10-12-19(13-11-18)25-22(28)20(23)17-8-6-16(3)7-9-17;;/h6-13,20H,4-5,14-15,23H2,1-3H3,(H,24,27)(H,25,28);2*1H.
What are the key properties of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride?
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride has a molecular weight of 455.43 g/mol, XLogP of 3.55, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 120669281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).