methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate

C18H19NO5 — CID 719429

IUPACmethyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C18H19NO5/c1-12(24-14-10-8-13(22-2)9-11-14)17(20)19-16-7-5-4-6-15(16)18(21)23-3/h4-12H,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyVLZZNKOSEJAKSW-LBPRGKRZSA-N
MW329.35 g/mol
LogP2.89
Rot. Bonds6

About methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate

methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate (PubChem CID 719429) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
PubChem CID719429
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C18H19NO5/c1-12(24-14-10-8-13(22-2)9-11-14)17(20)19-16-7-5-4-6-15(16)18(21)23-3/h4-12H,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyVLZZNKOSEJAKSW-LBPRGKRZSA-N
XLogP2.89
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]benzoate
CID 29453906
methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267145
N-(2-benzoylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 132656400
methyl 2-[[(2S)-2-(3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 962200
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
methyl 2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]benzoate
CID 1177887
3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide
CID 53281948
N-ethyl-2-[2-(4-methoxyphenoxy)propanoylamino]-N-phenylbenzamide
CID 17186678
4-methoxy-N-[2-(2-phenoxypropanoylamino)phenyl]benzamide
CID 17380470
(2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 42093263
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 18837904
methyl 2-(2-acetyloxypropanoylamino)benzoate
CID 23255845

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate?
The IUPAC name of methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate (CID 719429) is methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate?
The InChIKey is VLZZNKOSEJAKSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19NO5/c1-12(24-14-10-8-13(22-2)9-11-14)17(20)19-16-7-5-4-6-15(16)18(21)23-3/h4-12H,1-3H3,(H,19,20)/t12-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate?
methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate has a molecular weight of 329.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 719429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).