N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide

C20H24N2O2 — CID 882525

IUPACN-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-16-2-4-17(5-3-16)14-21-20(23)19-8-6-18(7-9-19)15-22-10-12-24-13-11-22/h2-9H,10-15H2,1H3,(H,21,23)
InChIKeyUQLQVQBDFHURDI-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.76
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide

N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 882525) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID882525
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1ccc(CNC(=O)c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-16-2-4-17(5-3-16)14-21-20(23)19-8-6-18(7-9-19)15-22-10-12-24-13-11-22/h2-9H,10-15H2,1H3,(H,21,23)
InChIKeyUQLQVQBDFHURDI-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide (CID 882525) is N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide is Cc1ccc(CNC(=O)c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is UQLQVQBDFHURDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-2-4-17(5-3-16)14-21-20(23)19-8-6-18(7-9-19)15-22-10-12-24-13-11-22/h2-9H,10-15H2,1H3,(H,21,23).
What are the key properties of N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide?
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 324.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 882525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).