4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide

C14H18N2O4 — CID 107302150

IUPAC4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
SMILESCC1OCCC1(O)CNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H18N2O4/c1-9-14(19,6-7-20-9)8-16-13(18)11-4-2-10(3-5-11)12(15)17/h2-5,9,19H,6-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyTVIQNOHYCJLHAB-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.06
Rot. Bonds4

About 4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide

4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide (PubChem CID 107302150) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
PubChem CID107302150
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
SMILESCC1OCCC1(O)CNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C14H18N2O4/c1-9-14(19,6-7-20-9)8-16-13(18)11-4-2-10(3-5-11)12(15)17/h2-5,9,19H,6-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyTVIQNOHYCJLHAB-UHFFFAOYSA-N
XLogP0.06
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
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
2-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 106099096
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide (CID 107302150) is 4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide is CC1OCCC1(O)CNC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is TVIQNOHYCJLHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-14(19,6-7-20-9)8-16-13(18)11-4-2-10(3-5-11)12(15)17/h2-5,9,19H,6-8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide?
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 107302150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).