4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide

C17H25NO3 — CID 107301763

IUPAC4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
SMILESCC1OCCC1(O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-12-17(20,9-10-21-12)11-18-15(19)13-5-7-14(8-6-13)16(2,3)4/h5-8,12,20H,9-11H2,1-4H3,(H,18,19)
InChIKeyLRXGIFRNLMLXQN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.25
Rot. Bonds3

About 4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide

4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide (PubChem CID 107301763) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
PubChem CID107301763
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
SMILESCC1OCCC1(O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-12-17(20,9-10-21-12)11-18-15(19)13-5-7-14(8-6-13)16(2,3)4/h5-8,12,20H,9-11H2,1-4H3,(H,18,19)
InChIKeyLRXGIFRNLMLXQN-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 107302261
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107301506
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide
CID 107302119
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
CID 107301897
3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methoxybenzamide
CID 107301628
3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylbenzamide
CID 107302290
3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301705
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide
CID 107301454

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide (CID 107301763) is 4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide is CC1OCCC1(O)CNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
The InChIKey is LRXGIFRNLMLXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-17(20,9-10-21-12)11-18-15(19)13-5-7-14(8-6-13)16(2,3)4/h5-8,12,20H,9-11H2,1-4H3,(H,18,19).
What are the key properties of 4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide?
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 107301763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).