3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide

C14H19NO5 — CID 105339952

IUPAC3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H19NO5/c1-15(9-14(19)2-4-20-5-3-14)13(18)10-6-11(16)8-12(17)7-10/h6-8,16-17,19H,2-5,9H2,1H3
InChIKeySTFCXBDDHXUNJO-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.71
Rot. Bonds3

About 3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide

3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide (PubChem CID 105339952) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
PubChem CID105339952
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H19NO5/c1-15(9-14(19)2-4-20-5-3-14)13(18)10-6-11(16)8-12(17)7-10/h6-8,16-17,19H,2-5,9H2,1H3
InChIKeySTFCXBDDHXUNJO-UHFFFAOYSA-N
XLogP0.71
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105336754
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylbenzamide
CID 114946885
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide
CID 114946931
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-iodo-N-methylbenzamide
CID 105341207
3-chloro-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951301
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 114953146
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951274
N-[(4-hydroxyoxan-4-yl)methyl]-2,3,5-triiodo-N-methylbenzamide
CID 114951412
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949568
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 114949579
N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-4-propylthiophene-2-carboxamide
CID 114951654

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide (CID 105339952) is 3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide is CN(CC1(O)CCOCC1)C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide?
The InChIKey is STFCXBDDHXUNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-15(9-14(19)2-4-20-5-3-14)13(18)10-6-11(16)8-12(17)7-10/h6-8,16-17,19H,2-5,9H2,1H3.
What are the key properties of 3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide?
3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide has a molecular weight of 281.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 105339952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).