benzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate

C27H27NO4 — CID 134866872

IUPACbenzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate
SMILESO=C(N[C@@H]1C=C[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C27H27NO4/c29-27(32-20-23-14-8-3-9-15-23)28-24-16-17-25(30-18-21-10-4-1-5-11-21)26(24)31-19-22-12-6-2-7-13-22/h1-17,24-26H,18-20H2,(H,28,29)/t24-,25-,26-/m1/s1
InChIKeyBUHISBHJARKTMJ-TWJOJJKGSA-N
MW429.52 g/mol
LogP5.02
Rot. Bonds9

About benzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate

benzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate (PubChem CID 134866872) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is benzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate
PubChem CID134866872
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Namebenzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate
SMILESO=C(N[C@@H]1C=C[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C27H27NO4/c29-27(32-20-23-14-8-3-9-15-23)28-24-16-17-25(30-18-21-10-4-1-5-11-21)26(24)31-19-22-12-6-2-7-13-22/h1-17,24-26H,18-20H2,(H,28,29)/t24-,25-,26-/m1/s1
InChIKeyBUHISBHJARKTMJ-TWJOJJKGSA-N
XLogP5.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate?
The IUPAC name of benzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate (CID 134866872) is benzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for benzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate?
The canonical SMILES for benzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate is O=C(N[C@@H]1C=C[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate?
The InChIKey is BUHISBHJARKTMJ-TWJOJJKGSA-N. The full InChI is InChI=1S/C27H27NO4/c29-27(32-20-23-14-8-3-9-15-23)28-24-16-17-25(30-18-21-10-4-1-5-11-21)26(24)31-19-22-12-6-2-7-13-22/h1-17,24-26H,18-20H2,(H,28,29)/t24-,25-,26-/m1/s1.
What are the key properties of benzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate?
benzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate has a molecular weight of 429.52 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,4R,5R)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 134866872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).