[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate

C23H23NO4 — CID 7843353

IUPAC[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C23H23NO4/c1-17-7-3-4-10-20(17)14-24(2)22(25)15-28-23(26)16-27-21-12-11-18-8-5-6-9-19(18)13-21/h3-13H,14-16H2,1-2H3
InChIKeyJADFTLAKQCWMPU-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.73
Rot. Bonds7

About [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate (PubChem CID 7843353) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
PubChem CID7843353
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C23H23NO4/c1-17-7-3-4-10-20(17)14-24(2)22(25)15-28-23(26)16-27-21-12-11-18-8-5-6-9-19(18)13-21/h3-13H,14-16H2,1-2H3
InChIKeyJADFTLAKQCWMPU-UHFFFAOYSA-N
XLogP3.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795799
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 7930348
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317876
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 9469697
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7433817
[2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843327
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 51114602
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 7727298
N-methyl-2-naphthalen-2-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 26555249
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 8954483
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36621925

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate (CID 7843353) is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate is Cc1ccccc1CN(C)C(=O)COC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is JADFTLAKQCWMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-17-7-3-4-10-20(17)14-24(2)22(25)15-28-23(26)16-27-21-12-11-18-8-5-6-9-19(18)13-21/h3-13H,14-16H2,1-2H3.
What are the key properties of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate has a molecular weight of 377.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 7843353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).