[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate

C21H24N2O4 — CID 7603617

IUPAC[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate
SMILESCc1ccc(CN(C)C(=O)COC(=O)CNC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C21H24N2O4/c1-15-9-10-18(16(2)11-15)13-23(3)19(24)14-27-20(25)12-22-21(26)17-7-5-4-6-8-17/h4-11H,12-14H2,1-3H3,(H,22,26)
InChIKeyVMCAWGFZYVFMLN-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.24
Rot. Bonds7

About [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate

[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate (PubChem CID 7603617) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate
PubChem CID7603617
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate
SMILESCc1ccc(CN(C)C(=O)COC(=O)CNC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C21H24N2O4/c1-15-9-10-18(16(2)11-15)13-23(3)19(24)14-27-20(25)12-22-21(26)17-7-5-4-6-8-17/h4-11H,12-14H2,1-3H3,(H,22,26)
InChIKeyVMCAWGFZYVFMLN-UHFFFAOYSA-N
XLogP2.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
CID 8860058
4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 9227980
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate
CID 2625404
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884860
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628990
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7778606
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-bromobenzoate
CID 18196850
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(2-benzamidoacetyl)amino]acetate
CID 3829044
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8870812
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate (CID 7603617) is [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate is Cc1ccc(CN(C)C(=O)COC(=O)CNC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is VMCAWGFZYVFMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-9-10-18(16(2)11-15)13-23(3)19(24)14-27-20(25)12-22-21(26)17-7-5-4-6-8-17/h4-11H,12-14H2,1-3H3,(H,22,26).
What are the key properties of [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate?
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 368.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 7603617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).