N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide

C20H26N2O3 — CID 109399395

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)CC(C)O)cc1-c1ccccn1
InChIInChI=1S/C20H26N2O3/c1-14(23)12-20(2,3)13-22-19(24)15-8-9-18(25-4)16(11-15)17-7-5-6-10-21-17/h5-11,14,23H,12-13H2,1-4H3,(H,22,24)
InChIKeyRMUNZCNOGZKUQU-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.28
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide

N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide (PubChem CID 109399395) 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-methoxy-3-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide
PubChem CID109399395
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide
SMILESCOc1ccc(C(=O)NCC(C)(C)CC(C)O)cc1-c1ccccn1
InChIInChI=1S/C20H26N2O3/c1-14(23)12-20(2,3)13-22-19(24)15-8-9-18(25-4)16(11-15)17-7-5-6-10-21-17/h5-11,14,23H,12-13H2,1-4H3,(H,22,24)
InChIKeyRMUNZCNOGZKUQU-UHFFFAOYSA-N
XLogP3.28
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(3S)-3-[(R)-methylsulfinyl]butyl]-3-pyridin-2-ylbenzamide
CID 97086951
N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
CID 111480649
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111480307
(2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid
CID 120517382
methyl 4-methoxy-3-pyridin-2-ylbenzoate
CID 70840507
N-[1-(hydroxymethyl)cyclopentyl]-4-methoxy-3-pyridin-2-ylbenzamide
CID 110008383
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
4-methoxy-N-methyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 71909818
4-methoxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-pyridin-2-ylbenzamide
CID 75389227
N-(5-chloro-1-methylbenzimidazol-2-yl)-4-methoxy-3-pyridin-2-ylbenzamide
CID 99718321
4-methoxy-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-pyridin-2-ylbenzamide
CID 99576828
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide (CID 109399395) is N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide is COc1ccc(C(=O)NCC(C)(C)CC(C)O)cc1-c1ccccn1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide?
The InChIKey is RMUNZCNOGZKUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(23)12-20(2,3)13-22-19(24)15-8-9-18(25-4)16(11-15)17-7-5-6-10-21-17/h5-11,14,23H,12-13H2,1-4H3,(H,22,24).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide?
N-(4-hydroxy-2,2-dimethylpentyl)-4-methoxy-3-pyridin-2-ylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 3.28, 7 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-methoxy-3-pyridin-2-ylbenzamide is sourced from PubChem (CID 109399395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).