ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate

C31H35NO3 — CID 102202444

IUPACethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](CCc2ccccc2)C[C@H](CCc2ccccc2)[C@H]1NC(=O)c1ccccc1
InChIInChI=1S/C31H35NO3/c1-2-35-31(34)28-26(20-18-23-12-6-3-7-13-23)22-27(21-19-24-14-8-4-9-15-24)29(28)32-30(33)25-16-10-5-11-17-25/h3-17,26-29H,2,18-22H2,1H3,(H,32,33)/t26-,27+,28+,29-/m1/s1
InChIKeyBUAHDPOVNUGZQT-GIFPIDKJSA-N
MW469.62 g/mol
LogP5.87
Rot. Bonds10

About ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate

ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate (PubChem CID 102202444) has the molecular formula C31H35NO3 and a molecular weight of 469.62 g/mol. Its IUPAC name is ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate
PubChem CID102202444
Molecular FormulaC31H35NO3
Molecular Weight469.62 g/mol
Exact Mass469.26
IUPAC Nameethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](CCc2ccccc2)C[C@H](CCc2ccccc2)[C@H]1NC(=O)c1ccccc1
InChIInChI=1S/C31H35NO3/c1-2-35-31(34)28-26(20-18-23-12-6-3-7-13-23)22-27(21-19-24-14-8-4-9-15-24)29(28)32-30(33)25-16-10-5-11-17-25/h3-17,26-29H,2,18-22H2,1H3,(H,32,33)/t26-,27+,28+,29-/m1/s1
InChIKeyBUAHDPOVNUGZQT-GIFPIDKJSA-N
XLogP5.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.62
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate with MolForge

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Related Compounds

ethyl (1R,2S,3S,5R)-2-benzamido-3-ethenyl-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]cyclopentane-1-carboxylate
CID 162414542
ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate
CID 174101764
ethyl 7-benzamido-3-(2,2-difluoroethyl)-3-azabicyclo[3.2.1]octane-6-carboxylate
CID 164670193
ethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate
CID 174101760
ethyl (2R,3R)-3-(2-phenylethyl)oxirane-2-carboxylate
CID 138975697
ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate
CID 102105174
ethyl 3-(phenylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 164670189
ethyl 1-benzyl-2-[(4-methylbenzoyl)amino]piperidine-4-carboxylate
CID 22359958
ethyl 5-[(2S,3R,4S)-3,4-dibenzamidothiolan-2-yl]pentanoate
CID 51424328
ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394
N-(2-ethylcyclopropyl)benzamide
CID 103669419
ethyl (1S,4R)-3-(phenylmethoxycarbonylamino)bicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 130456883

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate (CID 102202444) is ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate is CCOC(=O)[C@H]1[C@H](CCc2ccccc2)C[C@H](CCc2ccccc2)[C@H]1NC(=O)c1ccccc1.
What is the InChIKey of ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate?
The InChIKey is BUAHDPOVNUGZQT-GIFPIDKJSA-N. The full InChI is InChI=1S/C31H35NO3/c1-2-35-31(34)28-26(20-18-23-12-6-3-7-13-23)22-27(21-19-24-14-8-4-9-15-24)29(28)32-30(33)25-16-10-5-11-17-25/h3-17,26-29H,2,18-22H2,1H3,(H,32,33)/t26-,27+,28+,29-/m1/s1.
What are the key properties of ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate?
ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate has a molecular weight of 469.62 g/mol, XLogP of 5.87, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 102202444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).