N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide

C16H23NO4 — CID 107302261

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC2(O)CCOC2C)cc1
InChIInChI=1S/C16H23NO4/c1-11(2)21-14-6-4-13(5-7-14)15(18)17-10-16(19)8-9-20-12(16)3/h4-7,11-12,19H,8-10H2,1-3H3,(H,17,18)
InChIKeyXSTLZHDMZVFQDW-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.74
Rot. Bonds5

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide (PubChem CID 107302261) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide
PubChem CID107302261
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC2(O)CCOC2C)cc1
InChIInChI=1S/C16H23NO4/c1-11(2)21-14-6-4-13(5-7-14)15(18)17-10-16(19)8-9-20-12(16)3/h4-7,11-12,19H,8-10H2,1-3H3,(H,17,18)
InChIKeyXSTLZHDMZVFQDW-UHFFFAOYSA-N
XLogP1.74
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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]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
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-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-4-propan-2-yloxybenzamide
CID 146080338
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
2-(4-fluorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301998
2-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 106099096
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-4-propan-2-yloxybenzamide
CID 27449266

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide (CID 107302261) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCC2(O)CCOC2C)cc1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide?
The InChIKey is XSTLZHDMZVFQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)21-14-6-4-13(5-7-14)15(18)17-10-16(19)8-9-20-12(16)3/h4-7,11-12,19H,8-10H2,1-3H3,(H,17,18).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide has a molecular weight of 293.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 107302261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).