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

C14H19NO4 — CID 79672650

IUPAC3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCCOC2)cc1O
InChIInChI=1S/C14H19NO4/c1-18-13-5-4-11(7-12(13)16)14(17)15-8-10-3-2-6-19-9-10/h4-5,7,10,16H,2-3,6,8-9H2,1H3,(H,15,17)
InChIKeyYHHHLSPOWVTBGP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.56
Rot. Bonds4

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

3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide (PubChem CID 79672650) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
PubChem CID79672650
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCCOC2)cc1O
InChIInChI=1S/C14H19NO4/c1-18-13-5-4-11(7-12(13)16)14(17)15-8-10-3-2-6-19-9-10/h4-5,7,10,16H,2-3,6,8-9H2,1H3,(H,15,17)
InChIKeyYHHHLSPOWVTBGP-UHFFFAOYSA-N
XLogP1.56
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103728999
3-hydroxy-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79725483
2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
CID 61140420
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114317315
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
4-(ethylamino)-N-(oxan-3-ylmethyl)benzamide
CID 62175319
N-[[(3R)-oxan-3-yl]methyl]-3-(propan-2-ylamino)benzamide
CID 99806943
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxy-4-methoxybenzamide
CID 103728984

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide (CID 79672650) is 3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide is COc1ccc(C(=O)NCC2CCCOC2)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is YHHHLSPOWVTBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-13-5-4-11(7-12(13)16)14(17)15-8-10-3-2-6-19-9-10/h4-5,7,10,16H,2-3,6,8-9H2,1H3,(H,15,17).
What are the key properties of 3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide?
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 265.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 79672650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).