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

C20H24N2O3 — CID 51161257

IUPACN-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCCOc1ccc(CN(C)C(=O)CNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-4-25-17-11-9-16(10-12-17)14-22(3)19(23)13-21-20(24)18-8-6-5-7-15(18)2/h5-12H,4,13-14H2,1-3H3,(H,21,24)
InChIKeyVVZZLRRKISVSBK-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.78
Rot. Bonds7

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

N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 51161257) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide
PubChem CID51161257
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCCOc1ccc(CN(C)C(=O)CNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-4-25-17-11-9-16(10-12-17)14-22(3)19(23)13-21-20(24)18-8-6-5-7-15(18)2/h5-12H,4,13-14H2,1-3H3,(H,21,24)
InChIKeyVVZZLRRKISVSBK-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51160864
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24546571
2-methyl-N-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 51241984
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24546581
2,4-dichloro-N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24546574
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 78788525
4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51162813
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46607448
N-[2-[1-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 51292786
N-[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]-2-fluorobenzamide
CID 24546968
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51164195
N-[2-[benzyl(propyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51186348

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide (CID 51161257) is N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide is CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is VVZZLRRKISVSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-25-17-11-9-16(10-12-17)14-22(3)19(23)13-21-20(24)18-8-6-5-7-15(18)2/h5-12H,4,13-14H2,1-3H3,(H,21,24).
What are the key properties of N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 51161257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).