methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate

C22H26N2O5 — CID 9018532

IUPACmethyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H26N2O5/c1-15(2)13-18(22(27)28-3)24-20(25)14-29-19-12-8-7-11-17(19)21(26)23-16-9-5-4-6-10-16/h4-12,15,18H,13-14H2,1-3H3,(H,23,26)(H,24,25)/t18-/m1/s1
InChIKeyQQCPUSYRASBAOC-GOSISDBHSA-N
MW398.46 g/mol
LogP3.02
Rot. Bonds9

About methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate

methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate (PubChem CID 9018532) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate
PubChem CID9018532
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Namemethyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H26N2O5/c1-15(2)13-18(22(27)28-3)24-20(25)14-29-19-12-8-7-11-17(19)21(26)23-16-9-5-4-6-10-16/h4-12,15,18H,13-14H2,1-3H3,(H,23,26)(H,24,25)/t18-/m1/s1
InChIKeyQQCPUSYRASBAOC-GOSISDBHSA-N
XLogP3.02
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 9018570
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55444360
methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate
CID 43404277
2-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethoxy]-N-phenylbenzamide
CID 7981006
2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide
CID 40616574
methyl (2S)-2-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]-4-methylpentanoate
CID 90879083
methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
CID 721455
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
2-[2-[2-(3-methylbutoxy)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 60529536
2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 7981027
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018914

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate?
The IUPAC name of methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate (CID 9018532) is methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate.
What is the SMILES notation for methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate?
The canonical SMILES for methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)COc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate?
The InChIKey is QQCPUSYRASBAOC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-15(2)13-18(22(27)28-3)24-20(25)14-29-19-12-8-7-11-17(19)21(26)23-16-9-5-4-6-10-16/h4-12,15,18H,13-14H2,1-3H3,(H,23,26)(H,24,25)/t18-/m1/s1.
What are the key properties of methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate?
methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate has a molecular weight of 398.46 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate is sourced from PubChem (CID 9018532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).