N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide

C24H31NO3 — CID 10809884

IUPACN-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide
SMILESCc1ccc(C2(c3ccc(C)cc3)CC(C(=O)NC(C)(C)C)C(C)(O)O2)cc1
InChIInChI=1S/C24H31NO3/c1-16-7-11-18(12-8-16)24(19-13-9-17(2)10-14-19)15-20(23(6,27)28-24)21(26)25-22(3,4)5/h7-14,20,27H,15H2,1-6H3,(H,25,26)
InChIKeyMCODTJKGNJVPRS-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.21
Rot. Bonds3

About N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide

N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide (PubChem CID 10809884) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide
PubChem CID10809884
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC NameN-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide
SMILESCc1ccc(C2(c3ccc(C)cc3)CC(C(=O)NC(C)(C)C)C(C)(O)O2)cc1
InChIInChI=1S/C24H31NO3/c1-16-7-11-18(12-8-16)24(19-13-9-17(2)10-14-19)15-20(23(6,27)28-24)21(26)25-22(3,4)5/h7-14,20,27H,15H2,1-6H3,(H,25,26)
InChIKeyMCODTJKGNJVPRS-UHFFFAOYSA-N
XLogP4.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,3S)-N-tert-butyl-2-methyl-2-(4-methylphenyl)-3-phenylmethoxycyclopropane-1-carboxamide
CID 139041674
N-tert-butyl-5,5-bis(4-fluorophenyl)-2-hydroxy-2-methyloxolane-3-carboxamide
CID 10762918
2,2-Diphenyltetrahydrofuran-5-acetamide, N-t-butyl-
CID 593827
2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide
CID 10622882
N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide
CID 10645415
N-tert-butyl-5,5-bis(4-chlorophenyl)-2-hydroxy-2-methyloxolane-3-carboxamide
CID 10645884
N-benzyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide
CID 10691625
N-tert-butyl-5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-carboxamide
CID 10713768
N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide
CID 10736798
N-tert-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide
CID 10760540
2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide
CID 10790892

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide?
The IUPAC name of N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide (CID 10809884) is N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide is Cc1ccc(C2(c3ccc(C)cc3)CC(C(=O)NC(C)(C)C)C(C)(O)O2)cc1.
What is the InChIKey of N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide?
The InChIKey is MCODTJKGNJVPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-16-7-11-18(12-8-16)24(19-13-9-17(2)10-14-19)15-20(23(6,27)28-24)21(26)25-22(3,4)5/h7-14,20,27H,15H2,1-6H3,(H,25,26).
What are the key properties of N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide?
N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 10809884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).