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

C18H27NO5 — CID 100753156

IUPACethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OC)ccc1OC
InChIInChI=1S/C18H27NO5/c1-7-24-16(20)14-10-13(8-9-15(14)22-5)19-17(21)18(4,23-6)11-12(2)3/h8-10,12H,7,11H2,1-6H3,(H,19,21)/t18-/m0/s1
InChIKeyYNCWQZSDZUQDPI-SFHVURJKSA-N
MW337.42 g/mol
LogP3.26
Rot. Bonds8

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

ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate (PubChem CID 100753156) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate
PubChem CID100753156
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Nameethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OC)ccc1OC
InChIInChI=1S/C18H27NO5/c1-7-24-16(20)14-10-13(8-9-15(14)22-5)19-17(21)18(4,23-6)11-12(2)3/h8-10,12H,7,11H2,1-6H3,(H,19,21)/t18-/m0/s1
InChIKeyYNCWQZSDZUQDPI-SFHVURJKSA-N
XLogP3.26
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100753240
methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate
CID 100759329
ethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate
CID 100754818
ethyl 2-ethoxy-5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100759422
(2R)-2-ethoxy-N-(4-methoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 100723689
(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696673
ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100759028
methyl 2-butoxy-5-[(2-ethoxy-2,4-dimethylpentanoyl)amino]benzoate
CID 133230017
ethyl 2-ethoxy-5-[[4-methyl-2-(2-methylpropyl)-2-propoxypentanoyl]amino]benzoate
CID 100765542
methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate
CID 100752495
(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759496
ethyl 5-[(2-ethoxy-2-methylheptanoyl)amino]-2-(2-methylpropoxy)benzoate
CID 133203902

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate?
The IUPAC name of ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate (CID 100753156) is ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate?
The canonical SMILES for ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate is CCOC(=O)c1cc(NC(=O)[C@](C)(CC(C)C)OC)ccc1OC.
What is the InChIKey of ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate?
The InChIKey is YNCWQZSDZUQDPI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27NO5/c1-7-24-16(20)14-10-13(8-9-15(14)22-5)19-17(21)18(4,23-6)11-12(2)3/h8-10,12H,7,11H2,1-6H3,(H,19,21)/t18-/m0/s1.
What are the key properties of ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate?
ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate has a molecular weight of 337.42 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate is sourced from PubChem (CID 100753156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).