[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate

C24H23NO4 — CID 2587645

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
SMILESCOc1ccc(CNC(=O)COC(=O)c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-28-21-13-11-19(12-14-21)16-25-23(26)17-29-24(27)22-10-6-5-9-20(22)15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,25,26)
InChIKeyMEHZOYGUOPSHTE-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.76
Rot. Bonds8

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate (PubChem CID 2587645) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
PubChem CID2587645
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
SMILESCOc1ccc(CNC(=O)COC(=O)c2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H23NO4/c1-28-21-13-11-19(12-14-21)16-25-23(26)17-29-24(27)22-10-6-5-9-20(22)15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,25,26)
InChIKeyMEHZOYGUOPSHTE-UHFFFAOYSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495
[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(2-phenylethyl)benzoate
CID 18275544
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2587537
[2-(benzylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586819
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715818
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653271
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2337004
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916267
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 7826702
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate (CID 2587645) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate is COc1ccc(CNC(=O)COC(=O)c2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate?
The InChIKey is MEHZOYGUOPSHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-28-21-13-11-19(12-14-21)16-25-23(26)17-29-24(27)22-10-6-5-9-20(22)15-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,25,26).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate has a molecular weight of 389.45 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate is sourced from PubChem (CID 2587645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).