N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide

C18H22N2O — CID 108996489

IUPACN-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
SMILESCc1ccccc1CNCC(=O)NCc1ccccc1C
InChIInChI=1S/C18H22N2O/c1-14-7-3-5-9-16(14)11-19-13-18(21)20-12-17-10-6-4-8-15(17)2/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeyUIBODWYRHSKAPW-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.71
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide

N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide (PubChem CID 108996489) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
PubChem CID108996489
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
SMILESCc1ccccc1CNCC(=O)NCc1ccccc1C
InChIInChI=1S/C18H22N2O/c1-14-7-3-5-9-16(14)11-19-13-18(21)20-12-17-10-6-4-8-15(17)2/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeyUIBODWYRHSKAPW-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide (CID 108996489) is N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide is Cc1ccccc1CNCC(=O)NCc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide?
The InChIKey is UIBODWYRHSKAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-7-3-5-9-16(14)11-19-13-18(21)20-12-17-10-6-4-8-15(17)2/h3-10,19H,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide?
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide has a molecular weight of 282.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide is sourced from PubChem (CID 108996489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).