N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide

C20H26N2O3 — CID 111477995

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C20H26N2O3/c1-4-15(2)20(3,24)14-22-19(23)16-8-10-18(11-9-16)25-13-17-7-5-6-12-21-17/h5-12,15,24H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyLFAJHEATXUINJX-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.19
Rot. Bonds8

About N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide

N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 111477995) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID111477995
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C20H26N2O3/c1-4-15(2)20(3,24)14-22-19(23)16-8-10-18(11-9-16)25-13-17-7-5-6-12-21-17/h5-12,15,24H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyLFAJHEATXUINJX-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-(1,3-thiazol-4-ylmethoxy)benzamide
CID 111477987
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111480307
N-[2-(methylamino)propyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 120828245
4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111463682
2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 95987001
N-methyl-N-(2-methylpropyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 71998783
2-bromo-2-[4-(pyridin-2-ylmethoxy)phenyl]propanoic acid
CID 91416861
pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 43053311
N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 111446659
4-(pyridin-2-ylmethoxy)-N-(2,2,2-trifluoroethylsulfonyl)benzamide
CID 91643686
2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111446636
N-propan-2-yl-4-[3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoylamino]benzamide
CID 55864279

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide (CID 111477995) is N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide is CCC(C)C(C)(O)CNC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is LFAJHEATXUINJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-15(2)20(3,24)14-22-19(23)16-8-10-18(11-9-16)25-13-17-7-5-6-12-21-17/h5-12,15,24H,4,13-14H2,1-3H3,(H,22,23).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide?
N-(2-hydroxy-2,3-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-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 111477995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).