ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate

C19H21NO4 — CID 837427

IUPACethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-4-23-19(22)15-7-9-16(10-8-15)20-18(21)14(3)24-17-11-5-13(2)6-12-17/h5-12,14H,4H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyHLEHSEMTIIWGRP-AWEZNQCLSA-N
MW327.38 g/mol
LogP3.58
Rot. Bonds6

About ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate

ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate (PubChem CID 837427) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
PubChem CID837427
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-4-23-19(22)15-7-9-16(10-8-15)20-18(21)14(3)24-17-11-5-13(2)6-12-17/h5-12,14H,4H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyHLEHSEMTIIWGRP-AWEZNQCLSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(2S)-2-(3,4-dimethylphenoxy)propanoyl]amino]benzoate
CID 889850
(2R)-2-(4-methylphenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 42427542
N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 26906168
ethyl 4-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]benzoate
CID 133162806
N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
CID 4928472
(2R)-N-(4-benzoylphenyl)-2-(4-methylphenoxy)propanamide
CID 1019881
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
pentyl 4-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267194
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
methyl 4-[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965103
butyl 4-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 95076819
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate?
The IUPAC name of ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate (CID 837427) is ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate?
The InChIKey is HLEHSEMTIIWGRP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-23-19(22)15-7-9-16(10-8-15)20-18(21)14(3)24-17-11-5-13(2)6-12-17/h5-12,14H,4H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate?
ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 837427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).