N-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride

C18H22ClN3O2 — CID 134143197

IUPACN-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride
SMILESCC(=O)Nc1ccc(-c2cccc(CN(C)C(=O)CN)c2)cc1.Cl
InChIInChI=1S/C18H21N3O2.ClH/c1-13(22)20-17-8-6-15(7-9-17)16-5-3-4-14(10-16)12-21(2)18(23)11-19;/h3-10H,11-12,19H2,1-2H3,(H,20,22);1H
InChIKeySVUKVKZSYPQJLX-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.65
Rot. Bonds5

About N-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride

N-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride (PubChem CID 134143197) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride
PubChem CID134143197
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride
SMILESCC(=O)Nc1ccc(-c2cccc(CN(C)C(=O)CN)c2)cc1.Cl
InChIInChI=1S/C18H21N3O2.ClH/c1-13(22)20-17-8-6-15(7-9-17)16-5-3-4-14(10-16)12-21(2)18(23)11-19;/h3-10H,11-12,19H2,1-2H3,(H,20,22);1H
InChIKeySVUKVKZSYPQJLX-UHFFFAOYSA-N
XLogP2.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62370

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride?
The IUPAC name of N-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride (CID 134143197) is N-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride is CC(=O)Nc1ccc(-c2cccc(CN(C)C(=O)CN)c2)cc1.Cl.
What is the InChIKey of N-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride?
The InChIKey is SVUKVKZSYPQJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2.ClH/c1-13(22)20-17-8-6-15(7-9-17)16-5-3-4-14(10-16)12-21(2)18(23)11-19;/h3-10H,11-12,19H2,1-2H3,(H,20,22);1H.
What are the key properties of N-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride?
N-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride has a molecular weight of 347.85 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-acetamidophenyl)phenyl]methyl]-2-amino-N-methylacetamide;hydrochloride is sourced from PubChem (CID 134143197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).