N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide

C19H24N2O3 — CID 111483720

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
SMILESCC(C)C(C)(O)CNC(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C19H24N2O3/c1-14(2)19(3,23)13-21-18(22)16-7-4-8-17(10-16)24-12-15-6-5-9-20-11-15/h4-11,14,23H,12-13H2,1-3H3,(H,21,22)
InChIKeyAUPQUHUDIBYWJB-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.80
Rot. Bonds7

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

N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 111483720) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID111483720
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
SMILESCC(C)C(C)(O)CNC(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C19H24N2O3/c1-14(2)19(3,23)13-21-18(22)16-7-4-8-17(10-16)24-12-15-6-5-9-20-11-15/h4-11,14,23H,12-13H2,1-3H3,(H,21,22)
InChIKeyAUPQUHUDIBYWJB-UHFFFAOYSA-N
XLogP2.80
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484140
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 86815583
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932884
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46490817
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55788737
3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
CID 146099183

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide (CID 111483720) is N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide is CC(C)C(C)(O)CNC(=O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is AUPQUHUDIBYWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(2)19(3,23)13-21-18(22)16-7-4-8-17(10-16)24-12-15-6-5-9-20-11-15/h4-11,14,23H,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide?
N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 328.41 g/mol, XLogP of 2.80, 7 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-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 111483720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).