tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate

C24H36N2O6 — CID 23651507

IUPACtert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate
SMILESCC(C)(C)OC(=O)NC1(C(=O)OC(C)(C)C)CCOC1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H36N2O6/c1-22(2,3)31-20(27)24(25-21(28)32-23(4,5)6)11-14-30-19(24)17-7-9-18(10-8-17)26-12-15-29-16-13-26/h7-10,19H,11-16H2,1-6H3,(H,25,28)
InChIKeyIGKVUSRYBDSBDS-UHFFFAOYSA-N
MW448.56 g/mol
LogP3.59
Rot. Bonds4

About tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate

tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate (PubChem CID 23651507) has the molecular formula C24H36N2O6 and a molecular weight of 448.56 g/mol. Its IUPAC name is tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate
PubChem CID23651507
Molecular FormulaC24H36N2O6
Molecular Weight448.56 g/mol
Exact Mass448.26
IUPAC Nametert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate
SMILESCC(C)(C)OC(=O)NC1(C(=O)OC(C)(C)C)CCOC1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H36N2O6/c1-22(2,3)31-20(27)24(25-21(28)32-23(4,5)6)11-14-30-19(24)17-7-9-18(10-8-17)26-12-15-29-16-13-26/h7-10,19H,11-16H2,1-6H3,(H,25,28)
InChIKeyIGKVUSRYBDSBDS-UHFFFAOYSA-N
XLogP3.59
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate with MolForge

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Related Compounds

tert-butyl (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-yloxolane-3-carboxylate
CID 23651060
tert-butyl (2R,3S)-2-(3-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylate
CID 23651214
methyl (2R)-2-[[(2R,3S)-2-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]-3-methylbutanoate
CID 42645188
tert-butyl N-[(4-morpholin-4-ylphenyl)methylideneamino]carbamate
CID 2692504
methyl (2S)-2-[[(2S,3R)-2-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carbonyl]amino]-3-phenylpropanoate
CID 23651055
tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate
CID 35014792
tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate
CID 68753649
tert-butyl N-[2-[[N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883570
cis-methyl (1S,2S)-2-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 93047912
tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate
CID 139523201
tert-butyl N-[[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamoyl]phenyl]methyl]carbamate
CID 24516703
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate?
The IUPAC name of tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate (CID 23651507) is tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate is CC(C)(C)OC(=O)NC1(C(=O)OC(C)(C)C)CCOC1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate?
The InChIKey is IGKVUSRYBDSBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O6/c1-22(2,3)31-20(27)24(25-21(28)32-23(4,5)6)11-14-30-19(24)17-7-9-18(10-8-17)26-12-15-29-16-13-26/h7-10,19H,11-16H2,1-6H3,(H,25,28).
What are the key properties of tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate?
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate has a molecular weight of 448.56 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-morpholin-4-ylphenyl)oxolane-3-carboxylate is sourced from PubChem (CID 23651507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).