3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride

C21H28ClN3O3 — CID 119722835

IUPAC3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
SMILESCOCCNCC(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-16-6-8-17(9-7-16)13-24-21(26)19-5-3-4-18(12-19)14-23-20(25)15-22-10-11-27-2;/h3-9,12,22H,10-11,13-15H2,1-2H3,(H,23,25)(H,24,26);1H
InChIKeyOPZLMMRIMHPLPZ-UHFFFAOYSA-N
MW405.93 g/mol
LogP2.20
Rot. Bonds10

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

3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride (PubChem CID 119722835) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is 3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
PubChem CID119722835
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC Name3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
SMILESCOCCNCC(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-16-6-8-17(9-7-16)13-24-21(26)19-5-3-4-18(12-19)14-23-20(25)15-22-10-11-27-2;/h3-9,12,22H,10-11,13-15H2,1-2H3,(H,23,25)(H,24,26);1H
InChIKeyOPZLMMRIMHPLPZ-UHFFFAOYSA-N
XLogP2.20
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119842558
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 112722635
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997173
3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119289031
2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119706515
1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052676
2-(2-methoxyethylamino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 119707353
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997186

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride?
The IUPAC name of 3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride (CID 119722835) is 3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride is COCCNCC(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1.Cl.
What is the InChIKey of 3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride?
The InChIKey is OPZLMMRIMHPLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3.ClH/c1-16-6-8-17(9-7-16)13-24-21(26)19-5-3-4-18(12-19)14-23-20(25)15-22-10-11-27-2;/h3-9,12,22H,10-11,13-15H2,1-2H3,(H,23,25)(H,24,26);1H.
What are the key properties of 3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride?
3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 2.20, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119722835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).