N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide

C20H26N2O3 — CID 111480307

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C20H26N2O3/c1-15(23)12-20(2,3)14-22-19(24)16-7-9-18(10-8-16)25-13-17-6-4-5-11-21-17/h4-11,15,23H,12-14H2,1-3H3,(H,22,24)
InChIKeyPIKVKCIMMCTMRM-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.19
Rot. Bonds8

About N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide

N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 111480307) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID111480307
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C20H26N2O3/c1-15(23)12-20(2,3)14-22-19(24)16-7-9-18(10-8-16)25-13-17-6-4-5-11-21-17/h4-11,15,23H,12-14H2,1-3H3,(H,22,24)
InChIKeyPIKVKCIMMCTMRM-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111477995
N-[2-(methylamino)propyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 120828245
N-(4-hydroxy-2,2-dimethylpentyl)-4-prop-2-ynoxybenzamide
CID 111479961
N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide
CID 109399395
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 71998783
N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
CID 111480649
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 43053311
4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide
CID 91643686
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
2-bromo-2-[4-(pyridin-2-ylmethoxy)phenyl]propanoic acid
CID 91416861

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide (CID 111480307) is N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide is CC(O)CC(C)(C)CNC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is PIKVKCIMMCTMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15(23)12-20(2,3)14-22-19(24)16-7-9-18(10-8-16)25-13-17-6-4-5-11-21-17/h4-11,15,23H,12-14H2,1-3H3,(H,22,24).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide?
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 342.44 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 111480307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).