[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate

C25H25NO5 — CID 7432025

IUPAC[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO5/c1-26(16-21-10-6-7-11-23(21)29-2)24(27)18-31-25(28)20-12-14-22(15-13-20)30-17-19-8-4-3-5-9-19/h3-15H,16-18H2,1-2H3
InChIKeyGOVJQZWPKLDTIG-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.09
Rot. Bonds9

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

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate (PubChem CID 7432025) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
PubChem CID7432025
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H25NO5/c1-26(16-21-10-6-7-11-23(21)29-2)24(27)18-31-25(28)20-12-14-22(15-13-20)30-17-19-8-4-3-5-9-19/h3-15H,16-18H2,1-2H3
InChIKeyGOVJQZWPKLDTIG-UHFFFAOYSA-N
XLogP4.09
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 7432850
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628990
2-(4-benzoylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560002
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 18776539
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-phenoxypropanoate
CID 55358100
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678279
[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 55307289
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 8809632
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 7433764
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7547952
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
CID 24677632

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate?
The IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate (CID 7432025) is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate is COc1ccccc1CN(C)C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate?
The InChIKey is GOVJQZWPKLDTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-26(16-21-10-6-7-11-23(21)29-2)24(27)18-31-25(28)20-12-14-22(15-13-20)30-17-19-8-4-3-5-9-19/h3-15H,16-18H2,1-2H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate?
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate has a molecular weight of 419.48 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate is sourced from PubChem (CID 7432025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).