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

C19H24ClN3O2 — CID 119299589

IUPACN-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-14-7-9-16(10-8-14)18(23)21-11-12-22-19(24)17(20)13-15-5-3-2-4-6-15;/h2-10,17H,11-13,20H2,1H3,(H,21,23)(H,22,24);1H/t17-;/m0./s1
InChIKeyHGVJASNXJVOKCK-LMOVPXPDSA-N
MW361.87 g/mol
LogP1.83
Rot. Bonds7

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

N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride (PubChem CID 119299589) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride
PubChem CID119299589
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCNC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-14-7-9-16(10-8-14)18(23)21-11-12-22-19(24)17(20)13-15-5-3-2-4-6-15;/h2-10,17H,11-13,20H2,1H3,(H,21,23)(H,22,24);1H/t17-;/m0./s1
InChIKeyHGVJASNXJVOKCK-LMOVPXPDSA-N
XLogP1.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119279019
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride
CID 154890074
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119311649
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]-3-fluorobenzamide;hydrochloride
CID 119323433
3-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-N-propylbenzamide;hydrochloride
CID 119287362
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
ethyl 3-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119281055

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride?
The IUPAC name of N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride (CID 119299589) is N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NCCNC(=O)[C@@H](N)Cc2ccccc2)cc1.Cl.
What is the InChIKey of N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride?
The InChIKey is HGVJASNXJVOKCK-LMOVPXPDSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-14-7-9-16(10-8-14)18(23)21-11-12-22-19(24)17(20)13-15-5-3-2-4-6-15;/h2-10,17H,11-13,20H2,1H3,(H,21,23)(H,22,24);1H/t17-;/m0./s1.
What are the key properties of N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride?
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119299589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).