N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

C19H23ClN2O2 — CID 2516084

IUPACN-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-3-24-17-10-8-15(9-11-17)13-22(2)14-19(23)21-12-16-6-4-5-7-18(16)20/h4-11H,3,12-14H2,1-2H3,(H,21,23)
InChIKeySDJXROBGPKWMFX-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.49
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide

N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 2516084) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
PubChem CID2516084
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
SMILESCCOc1ccc(CN(C)CC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-3-24-17-10-8-15(9-11-17)13-22(2)14-19(23)21-12-16-6-4-5-7-18(16)20/h4-11H,3,12-14H2,1-2H3,(H,21,23)
InChIKeySDJXROBGPKWMFX-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide (CID 2516084) is N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is CCOc1ccc(CN(C)CC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is SDJXROBGPKWMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-3-24-17-10-8-15(9-11-17)13-22(2)14-19(23)21-12-16-6-4-5-7-18(16)20/h4-11H,3,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 346.86 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2516084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).