N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide

C19H22N2O3 — CID 2451975

IUPACN-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-14-4-8-16(9-5-14)19(23)20-12-18(22)21(2)13-15-6-10-17(24-3)11-7-15/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyWATQCBIDALGSKK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.39
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide

N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 2451975) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
PubChem CID2451975
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-14-4-8-16(9-5-14)19(23)20-12-18(22)21(2)13-15-6-10-17(24-3)11-7-15/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyWATQCBIDALGSKK-UHFFFAOYSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide (CID 2451975) is N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide is COc1ccc(CN(C)C(=O)CNC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is WATQCBIDALGSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-4-8-16(9-5-14)19(23)20-12-18(22)21(2)13-15-6-10-17(24-3)11-7-15/h4-11H,12-13H2,1-3H3,(H,20,23).
What are the key properties of N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 2451975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).