oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate

C24H33N3O6 — CID 72798589

IUPACoxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OC1CCOC1)C1CCC(C(=O)N2CCC(c3ccccc3)C2)C(C(=O)NO)C1
InChIInChI=1S/C24H33N3O6/c1-26(24(30)33-19-10-12-32-15-19)18-7-8-20(21(13-18)22(28)25-31)23(29)27-11-9-17(14-27)16-5-3-2-4-6-16/h2-6,17-21,31H,7-15H2,1H3,(H,25,28)
InChIKeyZVPGSYMKVATBDX-UHFFFAOYSA-N
MW459.54 g/mol
LogP2.15
Rot. Bonds5

About oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate

oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate (PubChem CID 72798589) has the molecular formula C24H33N3O6 and a molecular weight of 459.54 g/mol. Its IUPAC name is oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate
PubChem CID72798589
Molecular FormulaC24H33N3O6
Molecular Weight459.54 g/mol
Exact Mass459.24
IUPAC Nameoxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OC1CCOC1)C1CCC(C(=O)N2CCC(c3ccccc3)C2)C(C(=O)NO)C1
InChIInChI=1S/C24H33N3O6/c1-26(24(30)33-19-10-12-32-15-19)18-7-8-20(21(13-18)22(28)25-31)23(29)27-11-9-17(14-27)16-5-3-2-4-6-16/h2-6,17-21,31H,7-15H2,1H3,(H,25,28)
InChIKeyZVPGSYMKVATBDX-UHFFFAOYSA-N
XLogP2.15
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,5R)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide
CID 11200444
[(3S)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 11247455
[(3R)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate
CID 11317107
trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 11372567
trans-(1S,2S)-N-hydroxy-5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide
CID 11372999
oxan-4-yl N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate
CID 11397337
[(3R)-oxolan-3-yl] (3R,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 11464607
(1S,2S,5S)-N-hydroxy-5-morpholin-4-yl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide
CID 11486438
[(3S)-oxolan-3-yl] N-[(3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]-N-methylcarbamate
CID 11487985
N-hydroxy-2-(3-phenylpyrrolidine-1-carbonyl)-5-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 72821235
oxolan-3-yl (3R,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 87348214
[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexyl]carbamic acid
CID 87348640

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate?
The IUPAC name of oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate (CID 72798589) is oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate?
The canonical SMILES for oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate is CN(C(=O)OC1CCOC1)C1CCC(C(=O)N2CCC(c3ccccc3)C2)C(C(=O)NO)C1.
What is the InChIKey of oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate?
The InChIKey is ZVPGSYMKVATBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6/c1-26(24(30)33-19-10-12-32-15-19)18-7-8-20(21(13-18)22(28)25-31)23(29)27-11-9-17(14-27)16-5-3-2-4-6-16/h2-6,17-21,31H,7-15H2,1H3,(H,25,28).
What are the key properties of oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate?
oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate has a molecular weight of 459.54 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 72798589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).