ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate

C20H31NO5 — CID 100759028

IUPACethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate
SMILESCCOC(=O)c1cc(NC(=O)[C@](C)(CC)OCC)ccc1OCC(C)C
InChIInChI=1S/C20H31NO5/c1-7-20(6,26-9-3)19(23)21-15-10-11-17(25-13-14(4)5)16(12-15)18(22)24-8-2/h10-12,14H,7-9,13H2,1-6H3,(H,21,23)/t20-/m0/s1
InChIKeyMQVANAPYLVKQQY-FQEVSTJZSA-N
MW365.47 g/mol
LogP4.04
Rot. Bonds10

About ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate

ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate (PubChem CID 100759028) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Nameethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate
PubChem CID100759028
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC Nameethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate
SMILESCCOC(=O)c1cc(NC(=O)[C@](C)(CC)OCC)ccc1OCC(C)C
InChIInChI=1S/C20H31NO5/c1-7-20(6,26-9-3)19(23)21-15-10-11-17(25-13-14(4)5)16(12-15)18(22)24-8-2/h10-12,14H,7-9,13H2,1-6H3,(H,21,23)/t20-/m0/s1
InChIKeyMQVANAPYLVKQQY-FQEVSTJZSA-N
XLogP4.04
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate 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

ethyl 5-[(2-ethoxy-2-methylheptanoyl)amino]-2-(2-methylpropoxy)benzoate
CID 133203902
ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100753240
ethyl 2-ethoxy-5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100759422
ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate
CID 100764118
methyl 5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100760715
ethyl 2-butoxy-5-[[(2S)-2-ethoxy-2-methylpentanoyl]amino]benzoate
CID 100760105
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide
CID 100710857
methyl 2-(2-methylpropoxy)-5-[[(2R)-2-methyl-2-propoxypentanoyl]amino]benzoate
CID 100764936
2-methoxy-2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]butanamide
CID 133245849
ethyl 5-[(2-ethoxy-2-methylheptanoyl)amino]-2-propan-2-yloxybenzoate
CID 133203899
ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100753156
methyl 2-butoxy-5-[(2-ethoxy-2,4-dimethylpentanoyl)amino]benzoate
CID 133230017

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate?
The IUPAC name of ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate (CID 100759028) is ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate.
What is the SMILES notation for ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate?
The canonical SMILES for ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate is CCOC(=O)c1cc(NC(=O)[C@](C)(CC)OCC)ccc1OCC(C)C.
What is the InChIKey of ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate?
The InChIKey is MQVANAPYLVKQQY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H31NO5/c1-7-20(6,26-9-3)19(23)21-15-10-11-17(25-13-14(4)5)16(12-15)18(22)24-8-2/h10-12,14H,7-9,13H2,1-6H3,(H,21,23)/t20-/m0/s1.
What are the key properties of ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate?
ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate has a molecular weight of 365.47 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate is sourced from PubChem (CID 100759028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).