benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate

C22H25NO5 — CID 71613354

IUPACbenzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate
SMILESO=C(OCc1ccccc1)N(O)[C@H]1C=C[C@@H](OCCOCc2ccccc2)C1
InChIInChI=1S/C22H25NO5/c24-22(28-17-19-9-5-2-6-10-19)23(25)20-11-12-21(15-20)27-14-13-26-16-18-7-3-1-4-8-18/h1-12,20-21,25H,13-17H2/t20-,21+/m0/s1
InChIKeyXJYBWBSIAYJZIM-LEWJYISDSA-N
MW383.44 g/mol
LogP3.94
Rot. Bonds9

About benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate

benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate (PubChem CID 71613354) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate
PubChem CID71613354
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Namebenzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate
SMILESO=C(OCc1ccccc1)N(O)[C@H]1C=C[C@@H](OCCOCc2ccccc2)C1
InChIInChI=1S/C22H25NO5/c24-22(28-17-19-9-5-2-6-10-19)23(25)20-11-12-21(15-20)27-14-13-26-16-18-7-3-1-4-8-18/h1-12,20-21,25H,13-17H2/t20-,21+/m0/s1
InChIKeyXJYBWBSIAYJZIM-LEWJYISDSA-N
XLogP3.94
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-yloxyethoxymethylbenzene;ethane
CID 144529149
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970
(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
CID 14593673
2-phenylmethoxyethyl cyclopropanecarboxylate
CID 21489661
methyl (1S,4R)-4-phenylmethoxycyclopent-2-ene-1-carboxylate
CID 155424697
benzyl N-[(1R,2R)-2-formylcyclopentyl]-N-hydroxycarbamate
CID 71733448
benzyl N-[(1R,6R)-6-ethenylcyclohexa-2,4-dien-1-yl]-N-hydroxycarbamate
CID 102346880
(4-phenylmethoxycyclopent-2-en-1-yl) acetate
CID 22754072
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl N,N-dimethylcarbamate
CID 12963450
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
benzyl N-methyl-N-[(5-methylcyclopent-2-en-1-yl)methyl]carbamate
CID 143016203

Frequently Asked Questions

What is the IUPAC name of benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate?
The IUPAC name of benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate (CID 71613354) is benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate?
The canonical SMILES for benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate is O=C(OCc1ccccc1)N(O)[C@H]1C=C[C@@H](OCCOCc2ccccc2)C1.
What is the InChIKey of benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate?
The InChIKey is XJYBWBSIAYJZIM-LEWJYISDSA-N. The full InChI is InChI=1S/C22H25NO5/c24-22(28-17-19-9-5-2-6-10-19)23(25)20-11-12-21(15-20)27-14-13-26-16-18-7-3-1-4-8-18/h1-12,20-21,25H,13-17H2/t20-,21+/m0/s1.
What are the key properties of benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate?
benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate has a molecular weight of 383.44 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-hydroxy-N-[(1R,4S)-4-(2-phenylmethoxyethoxy)cyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 71613354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).