methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate

C18H27NO5 — CID 100759329

IUPACmethyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate
SMILESCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C18H27NO5/c1-7-24-18(4,11-12(2)3)17(21)19-13-8-9-15(22-5)14(10-13)16(20)23-6/h8-10,12H,7,11H2,1-6H3,(H,19,21)/t18-/m1/s1
InChIKeyOTZHEMYWAIYYLS-GOSISDBHSA-N
MW337.42 g/mol
LogP3.26
Rot. Bonds8

About methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate

methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate (PubChem CID 100759329) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate
PubChem CID100759329
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Namemethyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate
SMILESCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C18H27NO5/c1-7-24-18(4,11-12(2)3)17(21)19-13-8-9-15(22-5)14(10-13)16(20)23-6/h8-10,12H,7,11H2,1-6H3,(H,19,21)/t18-/m1/s1
InChIKeyOTZHEMYWAIYYLS-GOSISDBHSA-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 methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate with MolForge

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Related Compounds

methyl 2-butoxy-5-[(2-ethoxy-2,4-dimethylpentanoyl)amino]benzoate
CID 133230017
(2R)-2-ethoxy-N-(4-methoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 100723689
ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100753156
ethyl 2-ethoxy-5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100759422
(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759496
methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate
CID 100763279
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
methyl 5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100760715
2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
CID 133230010
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100724136
methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate
CID 100760661
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate (CID 100759329) is methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate is CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate?
The InChIKey is OTZHEMYWAIYYLS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27NO5/c1-7-24-18(4,11-12(2)3)17(21)19-13-8-9-15(22-5)14(10-13)16(20)23-6/h8-10,12H,7,11H2,1-6H3,(H,19,21)/t18-/m1/s1.
What are the key properties of methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate?
methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate 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 methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate is sourced from PubChem (CID 100759329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).