[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate

C24H22N2O5 — CID 8678572

IUPAC[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate
SMILESCc1ccc(NC(=O)[C@H](OC(=O)c2ccc(OCC(N)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-16-7-11-19(12-8-16)26-23(28)22(17-5-3-2-4-6-17)31-24(29)18-9-13-20(14-10-18)30-15-21(25)27/h2-14,22H,15H2,1H3,(H2,25,27)(H,26,28)/t22-/m1/s1
InChIKeySTTBRARXOJKOSS-JOCHJYFZSA-N
MW418.45 g/mol
LogP3.40
Rot. Bonds8

About [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate

[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate (PubChem CID 8678572) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate
PubChem CID8678572
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate
SMILESCc1ccc(NC(=O)[C@H](OC(=O)c2ccc(OCC(N)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-16-7-11-19(12-8-16)26-23(28)22(17-5-3-2-4-6-17)31-24(29)18-9-13-20(14-10-18)30-15-21(25)27/h2-14,22H,15H2,1H3,(H2,25,27)(H,26,28)/t22-/m1/s1
InChIKeySTTBRARXOJKOSS-JOCHJYFZSA-N
XLogP3.40
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 55320838
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 4-acetamidobenzoate
CID 46644627
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-methylbenzoate
CID 4803163
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(carbamoylamino)benzoate
CID 42971872
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 3-fluorobenzoate
CID 8612028
1-O-methyl 2-O-[2-(4-methylanilino)-2-oxo-1-phenylethyl] benzene-1,2-dicarboxylate
CID 56506522
[(1R)-2-oxo-1,2-diphenylethyl] 4-[(4-methylbenzoyl)amino]benzoate
CID 126189341
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-(2-methoxyphenoxy)acetate
CID 8912968
propan-2-yl 4-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 718367
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2646834
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 1,3-benzodioxole-5-carboxylate
CID 2646710
(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 94093464

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate (CID 8678572) is [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate is Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(OCC(N)=O)cc2)c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is STTBRARXOJKOSS-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-16-7-11-19(12-8-16)26-23(28)22(17-5-3-2-4-6-17)31-24(29)18-9-13-20(14-10-18)30-15-21(25)27/h2-14,22H,15H2,1H3,(H2,25,27)(H,26,28)/t22-/m1/s1.
What are the key properties of [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate?
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 418.45 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 8678572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).