[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate

C25H26N2O4 — CID 7667717

IUPAC[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate
SMILESCOc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C25H26N2O4/c1-17-10-15-22(30-4)21(16-17)26-24(28)23(18-8-6-5-7-9-18)31-25(29)19-11-13-20(14-12-19)27(2)3/h5-16,23H,1-4H3,(H,26,28)/t23-/m1/s1
InChIKeyRZYZPNZKLNOEIL-HSZRJFAPSA-N
MW418.49 g/mol
LogP4.61
Rot. Bonds7

About [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate

[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate (PubChem CID 7667717) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate
PubChem CID7667717
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate
SMILESCOc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C25H26N2O4/c1-17-10-15-22(30-4)21(16-17)26-24(28)23(18-8-6-5-7-9-18)31-25(29)19-11-13-20(14-12-19)27(2)3/h5-16,23H,1-4H3,(H,26,28)/t23-/m1/s1
InChIKeyRZYZPNZKLNOEIL-HSZRJFAPSA-N
XLogP4.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-methylsulfonylbenzoate
CID 2665441
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8791749
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2579975
[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-methylbenzoate
CID 4853970
[(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(tetrazol-1-yl)benzoate
CID 2665146
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-4-methylbenzoate
CID 42966348
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 3-chloro-4,5-dimethoxybenzoate
CID 42978003
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 3600454
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 8015324
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2,4-difluorobenzoate
CID 4853977

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate (CID 7667717) is [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate is COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(N(C)C)cc1)c1ccccc1.
What is the InChIKey of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate?
The InChIKey is RZYZPNZKLNOEIL-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-10-15-22(30-4)21(16-17)26-24(28)23(18-8-6-5-7-9-18)31-25(29)19-11-13-20(14-12-19)27(2)3/h5-16,23H,1-4H3,(H,26,28)/t23-/m1/s1.
What are the key properties of [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate?
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate has a molecular weight of 418.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 7667717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).