ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate

C20H23NO5 — CID 30391174

IUPACethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(OC)c1
InChIInChI=1S/C20H23NO5/c1-4-18(26-15-10-8-9-14(13-15)24-3)19(22)21-17-12-7-6-11-16(17)20(23)25-5-2/h6-13,18H,4-5H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyXRMGVBPZYLAUEA-SFHVURJKSA-N
MW357.41 g/mol
LogP3.67
Rot. Bonds8

About ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate

ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate (PubChem CID 30391174) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate
PubChem CID30391174
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Nameethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(OC)c1
InChIInChI=1S/C20H23NO5/c1-4-18(26-15-10-8-9-14(13-15)24-3)19(22)21-17-12-7-6-11-16(17)20(23)25-5-2/h6-13,18H,4-5H2,1-3H3,(H,21,22)/t18-/m0/s1
InChIKeyXRMGVBPZYLAUEA-SFHVURJKSA-N
XLogP3.67
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[(2S)-2-(3-methylphenoxy)butanoyl]amino]benzoate
CID 92676557
ethyl 2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzoate
CID 42083002
3-[2-(3-methoxyphenoxy)butanoylamino]-2-methylbenzamide
CID 53284491
N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 92680298
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 43909267
(2S)-N-(2,3-dimethylphenyl)-2-(3-methoxyphenoxy)butanamide
CID 93488485
methyl 2-[2-(3-chlorophenoxy)butanoylamino]benzoate
CID 43904326
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide
CID 28632970
2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 46764443
N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 94012414
(2R)-2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 92672077

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate (CID 30391174) is ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc(OC)c1.
What is the InChIKey of ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate?
The InChIKey is XRMGVBPZYLAUEA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO5/c1-4-18(26-15-10-8-9-14(13-15)24-3)19(22)21-17-12-7-6-11-16(17)20(23)25-5-2/h6-13,18H,4-5H2,1-3H3,(H,21,22)/t18-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate?
ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate has a molecular weight of 357.41 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate is sourced from PubChem (CID 30391174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).