N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide

C24H31NO5 — CID 10645415

IUPACN-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide
SMILESCOc1ccc(C2(c3ccc(OC)cc3)CC(C(=O)NC(C)(C)C)C(C)(O)O2)cc1
InChIInChI=1S/C24H31NO5/c1-22(2,3)25-21(26)20-15-24(30-23(20,4)27,16-7-11-18(28-5)12-8-16)17-9-13-19(29-6)14-10-17/h7-14,20,27H,15H2,1-6H3,(H,25,26)
InChIKeyLPUMWNFWSSABTC-UHFFFAOYSA-N
MW413.51 g/mol
LogP3.61
Rot. Bonds5

About N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide

N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide (PubChem CID 10645415) has the molecular formula C24H31NO5 and a molecular weight of 413.51 g/mol. Its IUPAC name is N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide
PubChem CID10645415
Molecular FormulaC24H31NO5
Molecular Weight413.51 g/mol
Exact Mass413.22
IUPAC NameN-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide
SMILESCOc1ccc(C2(c3ccc(OC)cc3)CC(C(=O)NC(C)(C)C)C(C)(O)O2)cc1
InChIInChI=1S/C24H31NO5/c1-22(2,3)25-21(26)20-15-24(30-23(20,4)27,16-7-11-18(28-5)12-8-16)17-9-13-19(29-6)14-10-17/h7-14,20,27H,15H2,1-6H3,(H,25,26)
InChIKeyLPUMWNFWSSABTC-UHFFFAOYSA-N
XLogP3.61
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(tert-butyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 2920507
3-p-Phenoxyphenyl-3-hydroxybutyric acid amide
CID 54572878
(3S)-4-(4-methoxyphenyl)-2-oxo-1-azaspiro[4.4]nonane-3-carboxylic acid
CID 118132803
(3S)-4-(4-methoxyphenyl)-2-oxo-1-azaspiro[4.5]decane-3-carboxylic acid
CID 118132804
methyl (3S)-4-(4-methoxyphenyl)-2-oxo-1-azaspiro[4.5]decane-3-carboxylate
CID 118132850
(3S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxopyrrolidine-3-carboxylic acid
CID 118132939
Rel-(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-azaspiro[4.5]decane-3-carboxylic acid
CID 122583100
Rel-(3R,4S)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxopyrrolidine-3-carboxylic acid
CID 122583140
4-(4-Methoxyphenyl)-5,5-dimethyl-2-oxopyrrolidine-3-carboxylic acid
CID 122583141
Rel-(3R,4S)-4-(4-methoxyphenyl)-2-oxo-1-azaspiro[4.4]nonane-3-carboxylic acid
CID 122583157
(3S,4R)-4-(4-methoxyphenyl)-2-oxo-1-azaspiro[4.4]nonane-3-carboxylic acid
CID 122592349
(3S,4R)-4-(4-methoxyphenyl)-5,5-dimethyl-2-oxopyrrolidine-3-carboxylic acid
CID 122592371

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide (CID 10645415) is N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide is COc1ccc(C2(c3ccc(OC)cc3)CC(C(=O)NC(C)(C)C)C(C)(O)O2)cc1.
What is the InChIKey of N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide?
The InChIKey is LPUMWNFWSSABTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO5/c1-22(2,3)25-21(26)20-15-24(30-23(20,4)27,16-7-11-18(28-5)12-8-16)17-9-13-19(29-6)14-10-17/h7-14,20,27H,15H2,1-6H3,(H,25,26).
What are the key properties of N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide?
N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide has a molecular weight of 413.51 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-hydroxy-5,5-bis(4-methoxyphenyl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 10645415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).