2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide

C25H30N2O5 — CID 10622882

IUPAC2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide
SMILESCC(=O)CC(=O)NCCCNC(=O)C1CC(c2ccccc2)(c2ccccc2)OC1(C)O
InChIInChI=1S/C25H30N2O5/c1-18(28)16-22(29)26-14-9-15-27-23(30)21-17-25(32-24(21,2)31,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,21,31H,9,14-17H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyHSHOENSOTSOKNY-UHFFFAOYSA-N
MW438.52 g/mol
LogP2.28
Rot. Bonds9

About 2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide

2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide (PubChem CID 10622882) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide
PubChem CID10622882
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide
SMILESCC(=O)CC(=O)NCCCNC(=O)C1CC(c2ccccc2)(c2ccccc2)OC1(C)O
InChIInChI=1S/C25H30N2O5/c1-18(28)16-22(29)26-14-9-15-27-23(30)21-17-25(32-24(21,2)31,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,21,31H,9,14-17H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyHSHOENSOTSOKNY-UHFFFAOYSA-N
XLogP2.28
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-3-(phenylmethoxycarbonylamino)propanoic acid
CID 101487577
N-tert-butyl-5,5-bis(4-fluorophenyl)-2-hydroxy-2-methyloxolane-3-carboxamide
CID 10762918
ethane;N-methyl-5-oxo-2,2-diphenyloxolane-3-carboxamide
CID 177952864
N-benzyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide
CID 10691625
N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide
CID 10736798
5-methyl-N-[3-(3-oxobutanoylamino)propyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 10740812
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
N-tert-butyl-2-hydroxy-2-methyl-5,5-bis(4-methylphenyl)oxolane-3-carboxamide
CID 10809884
5-methyl-N-[4-(3-oxobutanoylamino)butyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 21861434
5-methyl-N-[5-(3-oxobutanoylamino)pentyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 21861435
5-methyl-N-[6-(3-oxobutanoylamino)hexyl]-2,2-diphenyl-3H-furan-4-carboxamide
CID 21861436

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide (CID 10622882) is 2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide is CC(=O)CC(=O)NCCCNC(=O)C1CC(c2ccccc2)(c2ccccc2)OC1(C)O.
What is the InChIKey of 2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide?
The InChIKey is HSHOENSOTSOKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-18(28)16-22(29)26-14-9-15-27-23(30)21-17-25(32-24(21,2)31,19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,21,31H,9,14-17H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide?
2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide is sourced from PubChem (CID 10622882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).