[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate

C22H27NO4 — CID 7772946

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
SMILESCC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1cc(C)ccc1OC)c1ccccc1
InChIInChI=1S/C22H27NO4/c1-5-16(3)21(17-9-7-6-8-10-17)22(25)27-14-20(24)23-18-13-15(2)11-12-19(18)26-4/h6-13,16,21H,5,14H2,1-4H3,(H,23,24)/t16-,21+/m0/s1
InChIKeyCINORBXCCZVPDJ-HRAATJIYSA-N
MW369.46 g/mol
LogP4.32
Rot. Bonds8

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate (PubChem CID 7772946) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
PubChem CID7772946
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
SMILESCC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1cc(C)ccc1OC)c1ccccc1
InChIInChI=1S/C22H27NO4/c1-5-16(3)21(17-9-7-6-8-10-17)22(25)27-14-20(24)23-18-13-15(2)11-12-19(18)26-4/h6-13,16,21H,5,14H2,1-4H3,(H,23,24)/t16-,21+/m0/s1
InChIKeyCINORBXCCZVPDJ-HRAATJIYSA-N
XLogP4.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate with MolForge

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7773023
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7266073
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821252
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7773052
[2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772957
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772763
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772354
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
[2-(2-cyanoanilino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772960
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984751

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate (CID 7772946) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate is CC[C@H](C)[C@@H](C(=O)OCC(=O)Nc1cc(C)ccc1OC)c1ccccc1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate?
The InChIKey is CINORBXCCZVPDJ-HRAATJIYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-5-16(3)21(17-9-7-6-8-10-17)22(25)27-14-20(24)23-18-13-15(2)11-12-19(18)26-4/h6-13,16,21H,5,14H2,1-4H3,(H,23,24)/t16-,21+/m0/s1.
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate has a molecular weight of 369.46 g/mol, XLogP of 4.32, 8 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-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate is sourced from PubChem (CID 7772946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).