[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate

C24H23NO4 — CID 4853970

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate
SMILESCOc1ccc(C)cc1NC(=O)C(OC(=O)c1ccccc1C)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-16-13-14-21(28-3)20(15-16)25-23(26)22(18-10-5-4-6-11-18)29-24(27)19-12-8-7-9-17(19)2/h4-15,22H,1-3H3,(H,25,26)
InChIKeyFDDDUPLBHZVVAX-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.85
Rot. Bonds6

About [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate (PubChem CID 4853970) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate
PubChem CID4853970
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate
SMILESCOc1ccc(C)cc1NC(=O)C(OC(=O)c1ccccc1C)c1ccccc1
InChIInChI=1S/C24H23NO4/c1-16-13-14-21(28-3)20(15-16)25-23(26)22(18-10-5-4-6-11-18)29-24(27)19-12-8-7-9-17(19)2/h4-15,22H,1-3H3,(H,25,26)
InChIKeyFDDDUPLBHZVVAX-UHFFFAOYSA-N
XLogP4.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-4-methylbenzoate
CID 42966348
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 3600454
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-(4-methylbenzoyl)benzoate
CID 3518860
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-chloropyridine-3-carboxylate
CID 4803801
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2,4-difluorobenzoate
CID 4853977
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2502430
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8791749
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 42963212
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate
CID 7667717
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-methylsulfonylbenzoate
CID 2665441
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate (CID 4853970) is [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate is COc1ccc(C)cc1NC(=O)C(OC(=O)c1ccccc1C)c1ccccc1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate?
The InChIKey is FDDDUPLBHZVVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-16-13-14-21(28-3)20(15-16)25-23(26)22(18-10-5-4-6-11-18)29-24(27)19-12-8-7-9-17(19)2/h4-15,22H,1-3H3,(H,25,26).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate?
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate has a molecular weight of 389.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methylbenzoate is sourced from PubChem (CID 4853970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).