2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide

C28H36N2O5 — CID 10790892

IUPAC2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide
SMILESCC(=O)CC(=O)NCCCCCCNC(=O)C1CC(c2ccccc2)(c2ccccc2)OC1(C)O
InChIInChI=1S/C28H36N2O5/c1-21(31)19-25(32)29-17-11-3-4-12-18-30-26(33)24-20-28(35-27(24,2)34,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,24,34H,3-4,11-12,17-20H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyYJPFLQMTVLSZBI-UHFFFAOYSA-N
MW480.61 g/mol
LogP3.45
Rot. Bonds12

About 2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide

2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide (PubChem CID 10790892) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide
PubChem CID10790892
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC Name2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide
SMILESCC(=O)CC(=O)NCCCCCCNC(=O)C1CC(c2ccccc2)(c2ccccc2)OC1(C)O
InChIInChI=1S/C28H36N2O5/c1-21(31)19-25(32)29-17-11-3-4-12-18-30-26(33)24-20-28(35-27(24,2)34,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,24,34H,3-4,11-12,17-20H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyYJPFLQMTVLSZBI-UHFFFAOYSA-N
XLogP3.45
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.45
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
2-hydroxy-2-methyl-N-[3-(3-oxobutanoylamino)propyl]-5,5-diphenyloxolane-3-carboxamide
CID 10622882
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
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-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide (CID 10790892) is 2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide is CC(=O)CC(=O)NCCCCCCNC(=O)C1CC(c2ccccc2)(c2ccccc2)OC1(C)O.
What is the InChIKey of 2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide?
The InChIKey is YJPFLQMTVLSZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-21(31)19-25(32)29-17-11-3-4-12-18-30-26(33)24-20-28(35-27(24,2)34,22-13-7-5-8-14-22)23-15-9-6-10-16-23/h5-10,13-16,24,34H,3-4,11-12,17-20H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide?
2-hydroxy-2-methyl-N-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 3.45, 12 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-[6-(3-oxobutanoylamino)hexyl]-5,5-diphenyloxolane-3-carboxamide is sourced from PubChem (CID 10790892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).