N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide

C22H27NO3 — CID 10736798

IUPACN-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide
SMILESCCCCNC(=O)C1CC(c2ccccc2)(c2ccccc2)OC1(C)O
InChIInChI=1S/C22H27NO3/c1-3-4-15-23-20(24)19-16-22(26-21(19,2)25,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19,25H,3-4,15-16H2,1-2H3,(H,23,24)
InChIKeyDMOYLTTZCSMJLQ-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.59
Rot. Bonds6

About N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide

N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide (PubChem CID 10736798) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide
PubChem CID10736798
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide
SMILESCCCCNC(=O)C1CC(c2ccccc2)(c2ccccc2)OC1(C)O
InChIInChI=1S/C22H27NO3/c1-3-4-15-23-20(24)19-16-22(26-21(19,2)25,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19,25H,3-4,15-16H2,1-2H3,(H,23,24)
InChIKeyDMOYLTTZCSMJLQ-UHFFFAOYSA-N
XLogP3.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-5-oxo-2-phenyloxolane-3-carboxamide
CID 2947775
3-(3-fluorophenyl)-3-hydroxy-N-[(2-phenyloxolan-3-yl)methyl]propanamide
CID 86771203
(2R)-2-[(2-phenyl-1,3-dioxolan-2-yl)methyl]-3-(phenylmethoxycarbonylamino)propanoic acid
CID 101487577
(3S,4S,5R)-5-ethyl-3-hydroxy-4-phenyl-3-(phenylmethoxymethyl)pyrrolidin-2-one
CID 101959170
N-tert-butyl-5,5-bis(4-fluorophenyl)-2-hydroxy-2-methyloxolane-3-carboxamide
CID 10762918
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2-phenyloxolan-3-yl)methyl]acetamide
CID 86771093
(3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2S,3S)-2-phenyloxolan-3-yl]methyl]propanamide
CID 97059204
(3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]propanamide
CID 97059205
(3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propanamide
CID 97059206
(3S)-3-(3-fluorophenyl)-3-hydroxy-N-[[(2R,3R)-2-phenyloxolan-3-yl]methyl]propanamide
CID 97059207
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2S,3S)-2-phenyloxolan-3-yl]methyl]acetamide
CID 99776561
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]acetamide
CID 99776562

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide?
The IUPAC name of N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide (CID 10736798) is N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide.
What is the SMILES notation for N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide?
The canonical SMILES for N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide is CCCCNC(=O)C1CC(c2ccccc2)(c2ccccc2)OC1(C)O.
What is the InChIKey of N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide?
The InChIKey is DMOYLTTZCSMJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-4-15-23-20(24)19-16-22(26-21(19,2)25,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19,25H,3-4,15-16H2,1-2H3,(H,23,24).
What are the key properties of N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide?
N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide has a molecular weight of 353.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-hydroxy-2-methyl-5,5-diphenyloxolane-3-carboxamide is sourced from PubChem (CID 10736798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).