methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate

C19H29NO5 — CID 133230051

IUPACmethyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate
SMILESCCCOc1ccc(NC(=O)C(C)(CCC)OCC)cc1C(=O)OC
InChIInChI=1S/C19H29NO5/c1-6-11-19(4,25-8-3)18(22)20-14-9-10-16(24-12-7-2)15(13-14)17(21)23-5/h9-10,13H,6-8,11-12H2,1-5H3,(H,20,22)
InChIKeyBHDPLYVZHHIJOZ-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.80
Rot. Bonds10

About methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate

methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate (PubChem CID 133230051) has the molecular formula C19H29NO5 and a molecular weight of 351.44 g/mol. Its IUPAC name is methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate
PubChem CID133230051
Molecular FormulaC19H29NO5
Molecular Weight351.44 g/mol
Exact Mass351.20
IUPAC Namemethyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate
SMILESCCCOc1ccc(NC(=O)C(C)(CCC)OCC)cc1C(=O)OC
InChIInChI=1S/C19H29NO5/c1-6-11-19(4,25-8-3)18(22)20-14-9-10-16(24-12-7-2)15(13-14)17(21)23-5/h9-10,13H,6-8,11-12H2,1-5H3,(H,20,22)
InChIKeyBHDPLYVZHHIJOZ-UHFFFAOYSA-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 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-butoxy-5-[(2-methyl-2-propoxypentanoyl)amino]benzoate
CID 133204105
methyl 5-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]-2-propoxybenzoate
CID 100765782
ethyl 2-butoxy-5-[[(2S)-2-ethoxy-2-methylpentanoyl]amino]benzoate
CID 100760105
methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate
CID 100760661
methyl 2-butoxy-5-[(2-methyl-2-propoxyhexanoyl)amino]benzoate
CID 133205347
methyl 5-[(2-methyl-2-propoxybutanoyl)amino]-2-propoxybenzoate
CID 133204025
methyl 2-(2-methylpropoxy)-5-[[(2R)-2-methyl-2-propoxypentanoyl]amino]benzoate
CID 100764936
methyl 2-butoxy-5-[(2-ethoxy-2,4-dimethylpentanoyl)amino]benzoate
CID 133230017
methyl 5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100760715
methyl 2-butoxy-5-[(2-methoxy-2-methylheptanoyl)amino]benzoate
CID 133229844
ethyl 5-[[(2S)-2-methyl-2-propoxyheptanoyl]amino]-2-propoxybenzoate
CID 100766340
methyl 2-methoxy-5-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]benzoate
CID 100765762

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate?
The IUPAC name of methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate (CID 133230051) is methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate.
What is the SMILES notation for methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate?
The canonical SMILES for methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate is CCCOc1ccc(NC(=O)C(C)(CCC)OCC)cc1C(=O)OC.
What is the InChIKey of methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate?
The InChIKey is BHDPLYVZHHIJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5/c1-6-11-19(4,25-8-3)18(22)20-14-9-10-16(24-12-7-2)15(13-14)17(21)23-5/h9-10,13H,6-8,11-12H2,1-5H3,(H,20,22).
What are the key properties of methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate?
methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate 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 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate is sourced from PubChem (CID 133230051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).