oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate

C20H30N2O5 — CID 22997110

IUPACoxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)C(O)CNOC1CCCC1)OC1CCOC1
InChIInChI=1S/C20H30N2O5/c23-19(13-21-27-16-8-4-5-9-16)18(12-15-6-2-1-3-7-15)22-20(24)26-17-10-11-25-14-17/h1-3,6-7,16-19,21,23H,4-5,8-14H2,(H,22,24)
InChIKeyNRRLLYIMTBYOKP-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.94
Rot. Bonds9

About oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate

oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate (PubChem CID 22997110) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate
PubChem CID22997110
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Nameoxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate
SMILESO=C(NC(Cc1ccccc1)C(O)CNOC1CCCC1)OC1CCOC1
InChIInChI=1S/C20H30N2O5/c23-19(13-21-27-16-8-4-5-9-16)18(12-15-6-2-1-3-7-15)22-20(24)26-17-10-11-25-14-17/h1-3,6-7,16-19,21,23H,4-5,8-14H2,(H,22,24)
InChIKeyNRRLLYIMTBYOKP-UHFFFAOYSA-N
XLogP1.94
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 21356327
[(2S,3S)-4-(cyclohexyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 87741183
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-(cyclohexyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 59090777
[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 121312254
[(3S)-oxolan-3-yl] N-[(3S)-4-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 22868228
[(3S)-oxolan-3-yl] N-[(3S)-4-[(4-acetamidophenyl)sulfonyl-(cyclopentylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 22868222
methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate
CID 11346891
4-hydroxy-2-[3-[[2-hydroxy-3-(oxolan-3-yloxycarbonylamino)-4-phenylbutyl]amino]-2-methylpropyl]benzenesulfinic acid
CID 163936346
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-(oxan-4-yloxyamino)-1-phenylbutan-2-yl]carbamate;1-methyl-3-phenylmethoxybenzene
CID 91537443
[(3S)-oxolan-3-yl] N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
CID 11426934
[(3S)-oxolan-3-yl] N-[(3S)-4-[3-acetamido-6-(cyclohexylmethyl)-2-sulfamoylphenyl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 22868221
oxolan-3-yl N-[6-[(3-amino-2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-benzyl-1-cyclohexyl-3-hydroxy-6-oxohexan-2-yl]carbamate
CID 70048183

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate?
The IUPAC name of oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate (CID 22997110) is oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate.
What is the SMILES notation for oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate?
The canonical SMILES for oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate is O=C(NC(Cc1ccccc1)C(O)CNOC1CCCC1)OC1CCOC1.
What is the InChIKey of oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate?
The InChIKey is NRRLLYIMTBYOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c23-19(13-21-27-16-8-4-5-9-16)18(12-15-6-2-1-3-7-15)22-20(24)26-17-10-11-25-14-17/h1-3,6-7,16-19,21,23H,4-5,8-14H2,(H,22,24).
What are the key properties of oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate?
oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate has a molecular weight of 378.47 g/mol, XLogP of 1.94, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-[4-(cyclopentyloxyamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 22997110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).