N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide

C20H26N2O3 — CID 111447845

IUPACN-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
SMILESCc1ccc(OCc2cccc(C(=O)NCC(C)CC(C)O)c2)cn1
InChIInChI=1S/C20H26N2O3/c1-14(9-16(3)23)11-22-20(24)18-6-4-5-17(10-18)13-25-19-8-7-15(2)21-12-19/h4-8,10,12,14,16,23H,9,11,13H2,1-3H3,(H,22,24)
InChIKeyYWEMPYBIZVBJAC-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.11
Rot. Bonds8

About N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide

N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide (PubChem CID 111447845) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
PubChem CID111447845
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
SMILESCc1ccc(OCc2cccc(C(=O)NCC(C)CC(C)O)c2)cn1
InChIInChI=1S/C20H26N2O3/c1-14(9-16(3)23)11-22-20(24)18-6-4-5-17(10-18)13-25-19-8-7-15(2)21-12-19/h4-8,10,12,14,16,23H,9,11,13H2,1-3H3,(H,22,24)
InChIKeyYWEMPYBIZVBJAC-UHFFFAOYSA-N
XLogP3.11
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]butanoic acid
CID 120537130
N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119430510
(2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid
CID 119360777
1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid
CID 120530535
N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119522184
3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid
CID 120535893
N-(2-methylpropyl)-3-(naphthalen-2-yloxymethyl)benzamide
CID 903861
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119995953
N-(2-amino-1-cyclohexylethyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119589690
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111448110
[4-(1-aminoethyl)piperidin-1-yl]-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methanone
CID 119517657
N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide
CID 111447086

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide (CID 111447845) is N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide is Cc1ccc(OCc2cccc(C(=O)NCC(C)CC(C)O)c2)cn1.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide?
The InChIKey is YWEMPYBIZVBJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(9-16(3)23)11-22-20(24)18-6-4-5-17(10-18)13-25-19-8-7-15(2)21-12-19/h4-8,10,12,14,16,23H,9,11,13H2,1-3H3,(H,22,24).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide?
N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide has a molecular weight of 342.44 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide is sourced from PubChem (CID 111447845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).