methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate

C19H29NO5 — CID 100760661

IUPACmethyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate
SMILESCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1
InChIInChI=1S/C19H29NO5/c1-6-9-12-19(4,25-8-3)18(22)20-14-10-11-16(24-7-2)15(13-14)17(21)23-5/h10-11,13H,6-9,12H2,1-5H3,(H,20,22)/t19-/m1/s1
InChIKeyNOWVULDESTXOIN-LJQANCHMSA-N
MW351.44 g/mol
LogP3.80
Rot. Bonds10

About methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate

methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate (PubChem CID 100760661) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate
PubChem CID100760661
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Namemethyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate
SMILESCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1
InChIInChI=1S/C19H29NO5/c1-6-9-12-19(4,25-8-3)18(22)20-14-10-11-16(24-7-2)15(13-14)17(21)23-5/h10-11,13H,6-9,12H2,1-5H3,(H,20,22)/t19-/m1/s1
InChIKeyNOWVULDESTXOIN-LJQANCHMSA-N
XLogP3.80
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate with MolForge

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Related Compounds

methyl 5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100760715
methyl 2-butoxy-5-[(2-methyl-2-propoxyhexanoyl)amino]benzoate
CID 133205347
methyl 5-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]-2-propoxybenzoate
CID 100765782
methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate
CID 133230051
methyl 2-butoxy-5-[(2-methyl-2-propoxypentanoyl)amino]benzoate
CID 133204105
methyl 2-butoxy-5-[(2-ethoxy-2,4-dimethylpentanoyl)amino]benzoate
CID 133230017
ethyl 2-butoxy-5-[[(2S)-2-ethoxy-2-methylpentanoyl]amino]benzoate
CID 100760105
methyl 2-methoxy-5-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]benzoate
CID 100765762
methyl 2-butan-2-yloxy-5-[(2-ethoxy-2-methylheptanoyl)amino]benzoate
CID 133203893
methyl 2-butoxy-5-[(2-methoxy-2-methylheptanoyl)amino]benzoate
CID 133229844
methyl 2-(2-methylpropoxy)-5-[[(2S)-2-methyl-2-propoxyheptanoyl]amino]benzoate
CID 100766289
ethyl 5-[(2-ethoxy-2-methylheptanoyl)amino]-2-(2-methylpropoxy)benzoate
CID 133203902

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate?
The IUPAC name of methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate (CID 100760661) is methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate?
The canonical SMILES for methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate is CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1.
What is the InChIKey of methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate?
The InChIKey is NOWVULDESTXOIN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29NO5/c1-6-9-12-19(4,25-8-3)18(22)20-14-10-11-16(24-7-2)15(13-14)17(21)23-5/h10-11,13H,6-9,12H2,1-5H3,(H,20,22)/t19-/m1/s1.
What are the key properties of methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate?
methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate has a molecular weight of 351.44 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate is sourced from PubChem (CID 100760661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).