ethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate

C18H27NO5 — CID 100754818

IUPACethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate
SMILESCCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1
InChIInChI=1S/C18H27NO5/c1-6-8-11-18(3,23-5)17(21)19-13-9-10-15(22-4)14(12-13)16(20)24-7-2/h9-10,12H,6-8,11H2,1-5H3,(H,19,21)/t18-/m0/s1
InChIKeyDMGKBSPTAWBUGS-SFHVURJKSA-N
MW337.42 g/mol
LogP3.41
Rot. Bonds9

About ethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate

ethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate (PubChem CID 100754818) 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-methylhexanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate
PubChem CID100754818
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Nameethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate
SMILESCCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1
InChIInChI=1S/C18H27NO5/c1-6-8-11-18(3,23-5)17(21)19-13-9-10-15(22-4)14(12-13)16(20)24-7-2/h9-10,12H,6-8,11H2,1-5H3,(H,19,21)/t18-/m0/s1
InChIKeyDMGKBSPTAWBUGS-SFHVURJKSA-N
XLogP3.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100753156
methyl 2-methoxy-5-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]benzoate
CID 100765762
methyl 2-butoxy-5-[(2-methoxy-2-methylheptanoyl)amino]benzoate
CID 133229844
(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 100700557
ethyl 2-butoxy-5-[[(2S)-2-ethoxy-2-methylpentanoyl]amino]benzoate
CID 100760105
ethyl 5-[[(2S)-2-methyl-2-propoxyheptanoyl]amino]-2-propoxybenzoate
CID 100766340
ethyl 5-[(2-ethoxy-2-methylheptanoyl)amino]-2-propan-2-yloxybenzoate
CID 133203899
methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate
CID 100760661
(2S)-2-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylpentanamide
CID 100697822
ethyl 5-[(2-ethoxy-2-methylheptanoyl)amino]-2-(2-methylpropoxy)benzoate
CID 133203902
ethyl 2-[(2S)-butan-2-yl]oxy-5-[[(2R)-2-ethoxy-2-methylheptanoyl]amino]benzoate
CID 100761247
N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
CID 133245973

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate?
The IUPAC name of ethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate (CID 100754818) is ethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate?
The canonical SMILES for ethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate is CCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1.
What is the InChIKey of ethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate?
The InChIKey is DMGKBSPTAWBUGS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27NO5/c1-6-8-11-18(3,23-5)17(21)19-13-9-10-15(22-4)14(12-13)16(20)24-7-2/h9-10,12H,6-8,11H2,1-5H3,(H,19,21)/t18-/m0/s1.
What are the key properties of ethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate?
ethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate has a molecular weight of 337.42 g/mol, XLogP of 3.41, 9 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-methylhexanoyl]amino]benzoate is sourced from PubChem (CID 100754818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).