ethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate

C22H27NO3 — CID 102462810

IUPACethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate
SMILESCCC[C@H](C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C22H27NO3/c1-3-11-19(22(25)26-4-2)16-20(17-12-7-5-8-13-17)23-21(24)18-14-9-6-10-15-18/h5-10,12-15,19-20H,3-4,11,16H2,1-2H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyOCGMEZWYTZMHRJ-WOJBJXKFSA-N
MW353.46 g/mol
LogP4.53
Rot. Bonds9

About ethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate

ethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate (PubChem CID 102462810) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is ethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate
PubChem CID102462810
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Nameethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate
SMILESCCC[C@H](C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)OCC
InChIInChI=1S/C22H27NO3/c1-3-11-19(22(25)26-4-2)16-20(17-12-7-5-8-13-17)23-21(24)18-14-9-6-10-15-18/h5-10,12-15,19-20H,3-4,11,16H2,1-2H3,(H,23,24)/t19-,20-/m1/s1
InChIKeyOCGMEZWYTZMHRJ-WOJBJXKFSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
ethyl (2R)-2-[(2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl]pentanoate
CID 102462805
(2R)-2-[[(3S)-3-benzamido-3-phenylpropanoyl]amino]pentanoic acid
CID 100650906
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide
CID 101474890
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
3-bromo-4-methyl-N-(1-phenylbutyl)benzamide
CID 81457666
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate?
The IUPAC name of ethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate (CID 102462810) is ethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate.
What is the SMILES notation for ethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate?
The canonical SMILES for ethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate is CCC[C@H](C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate?
The InChIKey is OCGMEZWYTZMHRJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-11-19(22(25)26-4-2)16-20(17-12-7-5-8-13-17)23-21(24)18-14-9-6-10-15-18/h5-10,12-15,19-20H,3-4,11,16H2,1-2H3,(H,23,24)/t19-,20-/m1/s1.
What are the key properties of ethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate?
ethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate has a molecular weight of 353.46 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(2R)-2-benzamido-2-phenylethyl]pentanoate is sourced from PubChem (CID 102462810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).