3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide

C15H21NO4 — CID 79673553

IUPAC3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CC2CCCOC2)cc1O
InChIInChI=1S/C15H21NO4/c1-16(9-11-4-3-7-20-10-11)15(18)12-5-6-14(19-2)13(17)8-12/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3
InChIKeyDYXKZEGAMCYVLJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.90
Rot. Bonds4

About 3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide

3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide (PubChem CID 79673553) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
PubChem CID79673553
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CC2CCCOC2)cc1O
InChIInChI=1S/C15H21NO4/c1-16(9-11-4-3-7-20-10-11)15(18)12-5-6-14(19-2)13(17)8-12/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3
InChIKeyDYXKZEGAMCYVLJ-UHFFFAOYSA-N
XLogP1.90
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706362
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
CID 79672650
3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63725532
2-hydroxy-5-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706198
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
CID 107030003
3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63727084
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63711414
N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 79600203
6-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63706952
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79672225

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide (CID 79673553) is 3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide is COc1ccc(C(=O)N(C)CC2CCCOC2)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is DYXKZEGAMCYVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-16(9-11-4-3-7-20-10-11)15(18)12-5-6-14(19-2)13(17)8-12/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide?
3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 79673553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).