3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride

C19H24ClN3O2 — CID 119289031

IUPAC3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
SMILESCc1ccc(CNC(=O)c2cccc(CNC(=O)[C@H](C)N)c2)cc1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-13-6-8-15(9-7-13)11-22-19(24)17-5-3-4-16(10-17)12-21-18(23)14(2)20;/h3-10,14H,11-12,20H2,1-2H3,(H,21,23)(H,22,24);1H/t14-;/m0./s1
InChIKeyNQKXTRYLODHLNI-UQKRIMTDSA-N
MW361.87 g/mol
LogP2.31
Rot. Bonds6

About 3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride

3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride (PubChem CID 119289031) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
PubChem CID119289031
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
SMILESCc1ccc(CNC(=O)c2cccc(CNC(=O)[C@H](C)N)c2)cc1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-13-6-8-15(9-7-13)11-22-19(24)17-5-3-4-16(10-17)12-21-18(23)14(2)20;/h3-10,14H,11-12,20H2,1-2H3,(H,21,23)(H,22,24);1H/t14-;/m0./s1
InChIKeyNQKXTRYLODHLNI-UQKRIMTDSA-N
XLogP2.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119867722
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride
CID 119296114
3-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-N-propylbenzamide;hydrochloride
CID 120667273
3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722835
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 43156132
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719987
N-[[3-[(4-methylphenyl)methylcarbamoyl]phenyl]methyl]piperidine-4-carboxamide
CID 119289038
3-[[(3-aminocyclohexanecarbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722813
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride?
The IUPAC name of 3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride (CID 119289031) is 3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride is Cc1ccc(CNC(=O)c2cccc(CNC(=O)[C@H](C)N)c2)cc1.Cl.
What is the InChIKey of 3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride?
The InChIKey is NQKXTRYLODHLNI-UQKRIMTDSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-13-6-8-15(9-7-13)11-22-19(24)17-5-3-4-16(10-17)12-21-18(23)14(2)20;/h3-10,14H,11-12,20H2,1-2H3,(H,21,23)(H,22,24);1H/t14-;/m0./s1.
What are the key properties of 3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride?
3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119289031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).