ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate

C21H33NO5 — CID 100753240

IUPACethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate
SMILESCCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OC)ccc1OCC(C)C
InChIInChI=1S/C21H33NO5/c1-8-26-19(23)17-11-16(9-10-18(17)27-13-15(4)5)22-20(24)21(6,25-7)12-14(2)3/h9-11,14-15H,8,12-13H2,1-7H3,(H,22,24)/t21-/m1/s1
InChIKeySDTBCJHIKOBCCP-OAQYLSRUSA-N
MW379.50 g/mol
LogP4.29
Rot. Bonds10

About ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate

ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate (PubChem CID 100753240) has the molecular formula C21H33NO5 and a molecular weight of 379.50 g/mol. Its IUPAC name is ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Nameethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate
PubChem CID100753240
Molecular FormulaC21H33NO5
Molecular Weight379.50 g/mol
Exact Mass379.24
IUPAC Nameethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate
SMILESCCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OC)ccc1OCC(C)C
InChIInChI=1S/C21H33NO5/c1-8-26-19(23)17-11-16(9-10-18(17)27-13-15(4)5)22-20(24)21(6,25-7)12-14(2)3/h9-11,14-15H,8,12-13H2,1-7H3,(H,22,24)/t21-/m1/s1
InChIKeySDTBCJHIKOBCCP-OAQYLSRUSA-N
XLogP4.29
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate with MolForge

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Related Compounds

ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100753156
ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100759028
ethyl 2-ethoxy-5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100759422
ethyl 5-[(2-ethoxy-2-methylheptanoyl)amino]-2-(2-methylpropoxy)benzoate
CID 133203902
2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide
CID 133245849
methyl 5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100760715
(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696673
methyl 2-butoxy-5-[(2-ethoxy-2,4-dimethylpentanoyl)amino]benzoate
CID 133230017
methyl 2-(2-methylpropoxy)-5-[[(2R)-2-methyl-2-propoxypentanoyl]amino]benzoate
CID 100764936
methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate
CID 100759329
ethyl 2-ethoxy-5-[[4-methyl-2-(2-methylpropyl)-2-propoxypentanoyl]amino]benzoate
CID 100765542
methyl 2-(2-methylpropoxy)-5-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 100750408

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate?
The IUPAC name of ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate (CID 100753240) is ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate.
What is the SMILES notation for ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate?
The canonical SMILES for ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate is CCOC(=O)c1cc(NC(=O)[C@@](C)(CC(C)C)OC)ccc1OCC(C)C.
What is the InChIKey of ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate?
The InChIKey is SDTBCJHIKOBCCP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H33NO5/c1-8-26-19(23)17-11-16(9-10-18(17)27-13-15(4)5)22-20(24)21(6,25-7)12-14(2)3/h9-11,14-15H,8,12-13H2,1-7H3,(H,22,24)/t21-/m1/s1.
What are the key properties of ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate?
ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate has a molecular weight of 379.50 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate is sourced from PubChem (CID 100753240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).