methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate

C19H21NO4 — CID 7667328

IUPACmethyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-14(15-6-4-3-5-7-15)12-20-18(21)13-24-17-10-8-16(9-11-17)19(22)23-2/h3-11,14H,12-13H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyJGRBCGRJLIOBPA-AWEZNQCLSA-N
MW327.38 g/mol
LogP2.77
Rot. Bonds7

About methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate

methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate (PubChem CID 7667328) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate
PubChem CID7667328
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-14(15-6-4-3-5-7-15)12-20-18(21)13-24-17-10-8-16(9-11-17)19(22)23-2/h3-11,14H,12-13H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyJGRBCGRJLIOBPA-AWEZNQCLSA-N
XLogP2.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide
CID 16540648
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7652508
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7794665
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate
CID 7971711
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164501
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 8579822
(2R)-2-[2-oxo-2-(2-phenylpropylamino)ethoxy]propanoic acid
CID 104875498
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-cyanobenzoate
CID 7716956
methyl 4-(3-bromo-2-phenylpropoxy)benzoate
CID 65016525
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133512

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate?
The IUPAC name of methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate (CID 7667328) is methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate is COC(=O)c1ccc(OCC(=O)NC[C@H](C)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate?
The InChIKey is JGRBCGRJLIOBPA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14(15-6-4-3-5-7-15)12-20-18(21)13-24-17-10-8-16(9-11-17)19(22)23-2/h3-11,14H,12-13H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate?
methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate has a molecular weight of 327.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate is sourced from PubChem (CID 7667328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).