N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride

C23H24ClN3O2 — CID 154890074

IUPACN-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H](N)Cc3ccccc3)c2)cc1.Cl
InChIInChI=1S/C23H23N3O2.ClH/c1-16-10-12-18(13-11-16)22(27)25-19-8-5-9-20(15-19)26-23(28)21(24)14-17-6-3-2-4-7-17;/h2-13,15,21H,14,24H2,1H3,(H,25,27)(H,26,28);1H/t21-;/m0./s1
InChIKeyJAIIKIPKRRQAGT-BOXHHOBZSA-N
MW409.92 g/mol
LogP4.18
Rot. Bonds6

About N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride

N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride (PubChem CID 154890074) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride
PubChem CID154890074
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC NameN-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H](N)Cc3ccccc3)c2)cc1.Cl
InChIInChI=1S/C23H23N3O2.ClH/c1-16-10-12-18(13-11-16)22(27)25-19-8-5-9-20(15-19)26-23(28)21(24)14-17-6-3-2-4-7-17;/h2-13,15,21H,14,24H2,1H3,(H,25,27)(H,26,28);1H/t21-;/m0./s1
InChIKeyJAIIKIPKRRQAGT-BOXHHOBZSA-N
XLogP4.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide
CID 46996402
N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide
CID 131941265
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119299589
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide;hydrochloride
CID 14837118
N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
CID 23148417
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]benzoic acid;hydrochloride
CID 175395798
(2S)-N-(4-acetylphenyl)-2-amino-3-phenylpropanamide
CID 14837119

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride?
The IUPAC name of N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride (CID 154890074) is N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)Nc2cccc(NC(=O)[C@@H](N)Cc3ccccc3)c2)cc1.Cl.
What is the InChIKey of N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride?
The InChIKey is JAIIKIPKRRQAGT-BOXHHOBZSA-N. The full InChI is InChI=1S/C23H23N3O2.ClH/c1-16-10-12-18(13-11-16)22(27)25-19-8-5-9-20(15-19)26-23(28)21(24)14-17-6-3-2-4-7-17;/h2-13,15,21H,14,24H2,1H3,(H,25,27)(H,26,28);1H/t21-;/m0./s1.
What are the key properties of N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride?
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride has a molecular weight of 409.92 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 154890074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).