[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate

C19H21NO3 — CID 7971711

IUPAC[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-14-8-10-17(11-9-14)19(22)23-13-18(21)20-12-15(2)16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyDSMCVJAOEBRELL-HNNXBMFYSA-N
MW311.38 g/mol
LogP3.07
Rot. Bonds6

About [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate

[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate (PubChem CID 7971711) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate
PubChem CID7971711
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-14-8-10-17(11-9-14)19(22)23-13-18(21)20-12-15(2)16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyDSMCVJAOEBRELL-HNNXBMFYSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate with MolForge

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Related Compounds

[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3,5-dimethylbenzoate
CID 8535856
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133512
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-cyanobenzoate
CID 7716956
[2-oxo-2-(2-phenylpropylamino)ethyl] 4-(acetamidomethyl)benzoate
CID 18195635
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(difluoromethylsulfonyl)benzoate
CID 7679735
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 6-chloropyridine-3-carboxylate
CID 8017449
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204133
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204134
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187373
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3,4,5-trimethoxybenzoate
CID 8013174
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate?
The IUPAC name of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate (CID 7971711) is [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate.
What is the SMILES notation for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate?
The canonical SMILES for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)NC[C@H](C)c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate?
The InChIKey is DSMCVJAOEBRELL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-8-10-17(11-9-14)19(22)23-13-18(21)20-12-15(2)16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate?
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate has a molecular weight of 311.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methylbenzoate is sourced from PubChem (CID 7971711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).