[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate

C24H23NO4 — CID 18199295

IUPAC[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate
SMILESCN(C)C(=O)C(OC(=O)c1ccccc1COc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-25(2)23(26)22(18-11-5-3-6-12-18)29-24(27)21-16-10-9-13-19(21)17-28-20-14-7-4-8-15-20/h3-16,22H,17H2,1-2H3
InChIKeyRFXQHWHFLNNCEU-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.25
Rot. Bonds7

About [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate

[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate (PubChem CID 18199295) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate
PubChem CID18199295
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate
SMILESCN(C)C(=O)C(OC(=O)c1ccccc1COc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-25(2)23(26)22(18-11-5-3-6-12-18)29-24(27)21-16-10-9-13-19(21)17-28-20-14-7-4-8-15-20/h3-16,22H,17H2,1-2H3
InChIKeyRFXQHWHFLNNCEU-UHFFFAOYSA-N
XLogP4.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylbenzoate
CID 18199169
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 55392029
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate
CID 55390142
2-hydroxy-1-[2-(phenoxymethyl)phenyl]-2-phenylethanone
CID 118160863
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(methoxymethyl)benzoate
CID 7704010
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835498
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835500
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7696216
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 27765842

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate?
The IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate (CID 18199295) is [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate?
The canonical SMILES for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate is CN(C)C(=O)C(OC(=O)c1ccccc1COc1ccccc1)c1ccccc1.
What is the InChIKey of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate?
The InChIKey is RFXQHWHFLNNCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-25(2)23(26)22(18-11-5-3-6-12-18)29-24(27)21-16-10-9-13-19(21)17-28-20-14-7-4-8-15-20/h3-16,22H,17H2,1-2H3.
What are the key properties of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate?
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate has a molecular weight of 389.45 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(phenoxymethyl)benzoate is sourced from PubChem (CID 18199295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).