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

C19H29NO5 — CID 100764118

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

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

ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate (PubChem CID 100764118) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate
PubChem CID100764118
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Nameethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate
SMILESCCCO[C@](C)(CC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1
InChIInChI=1S/C19H29NO5/c1-6-12-25-19(5,7-2)18(22)20-14-10-11-16(23-8-3)15(13-14)17(21)24-9-4/h10-11,13H,6-9,12H2,1-5H3,(H,20,22)/t19-/m1/s1
InChIKeyVGFHPDPVPNWHNE-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 ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate with MolForge

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Related Compounds

methyl 5-[(2-methyl-2-propoxybutanoyl)amino]-2-propoxybenzoate
CID 133204025
ethyl 5-[[(2S)-2-methyl-2-propoxyheptanoyl]amino]-2-propoxybenzoate
CID 100766340
ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100759028
ethyl 2-ethoxy-5-[[4-methyl-2-(2-methylpropyl)-2-propoxypentanoyl]amino]benzoate
CID 100765542
(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
CID 100763997
ethyl 2-ethoxy-5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100759422
ethyl 2-butoxy-5-[[(2S)-2-ethoxy-2-methylpentanoyl]amino]benzoate
CID 100760105
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
CID 100764215
ethyl 5-[[(2S)-2-cyclopropyl-2-propoxypropanoyl]amino]-2-propoxybenzoate
CID 100768779
methyl 2-butoxy-5-[(2-methyl-2-propoxyhexanoyl)amino]benzoate
CID 133205347
methyl 2-butoxy-5-[(2-methyl-2-propoxypentanoyl)amino]benzoate
CID 133204105
methyl 5-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]-2-propoxybenzoate
CID 100765782

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate?
The IUPAC name of ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate (CID 100764118) is ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate?
The canonical SMILES for ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate is CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1.
What is the InChIKey of ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate?
The InChIKey is VGFHPDPVPNWHNE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29NO5/c1-6-12-25-19(5,7-2)18(22)20-14-10-11-16(23-8-3)15(13-14)17(21)24-9-4/h10-11,13H,6-9,12H2,1-5H3,(H,20,22)/t19-/m1/s1.
What are the key properties of ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate?
ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]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 ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate is sourced from PubChem (CID 100764118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).