4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide

C21H25NO5 — CID 119069786

IUPAC4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
SMILESCOc1cc(-c2ccc(C(=O)NCC3(CO)CCOCC3)cc2)ccc1O
InChIInChI=1S/C21H25NO5/c1-26-19-12-17(6-7-18(19)24)15-2-4-16(5-3-15)20(25)22-13-21(14-23)8-10-27-11-9-21/h2-7,12,23-24H,8-11,13-14H2,1H3,(H,22,25)
InChIKeyOMMSVFIKSZCCAH-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.59
Rot. Bonds6

About 4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide

4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide (PubChem CID 119069786) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
PubChem CID119069786
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
SMILESCOc1cc(-c2ccc(C(=O)NCC3(CO)CCOCC3)cc2)ccc1O
InChIInChI=1S/C21H25NO5/c1-26-19-12-17(6-7-18(19)24)15-2-4-16(5-3-15)20(25)22-13-21(14-23)8-10-27-11-9-21/h2-7,12,23-24H,8-11,13-14H2,1H3,(H,22,25)
InChIKeyOMMSVFIKSZCCAH-UHFFFAOYSA-N
XLogP2.59
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 167752625
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 103965168
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide
CID 119061316
3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 110631720
3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide
CID 103849817
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
3-bromo-4-methoxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742483
4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 110310247
4-[[(3,4-dihydroxybenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 107728193
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
4-(cyclopropylsulfamoyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 70769591
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 110416759

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide (CID 119069786) is 4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide is COc1cc(-c2ccc(C(=O)NCC3(CO)CCOCC3)cc2)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide?
The InChIKey is OMMSVFIKSZCCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-26-19-12-17(6-7-18(19)24)15-2-4-16(5-3-15)20(25)22-13-21(14-23)8-10-27-11-9-21/h2-7,12,23-24H,8-11,13-14H2,1H3,(H,22,25).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide?
4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide has a molecular weight of 371.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 119069786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).