2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid

C20H24N2O4 — CID 120518519

IUPAC2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1)C(=O)O
InChIInChI=1S/C20H24N2O4/c1-5-20(4,19(24)25)22-18(23)16-9-13(2)17(14(3)10-16)26-12-15-7-6-8-21-11-15/h6-11H,5,12H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyNSXXHKJYQAYYKW-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.26
Rot. Bonds7

About 2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid

2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid (PubChem CID 120518519) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
PubChem CID120518519
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1)C(=O)O
InChIInChI=1S/C20H24N2O4/c1-5-20(4,19(24)25)22-18(23)16-9-13(2)17(14(3)10-16)26-12-15-7-6-8-21-11-15/h6-11H,5,12H2,1-4H3,(H,22,23)(H,24,25)
InChIKeyNSXXHKJYQAYYKW-UHFFFAOYSA-N
XLogP3.26
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119608365
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
N-(3-hydroxy-4-pyridinyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 75370477
N'-(2-chlorobenzoyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzohydrazide
CID 55691668
2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 120686259
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 47031577
3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
CID 120535842
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690776
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55699320

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid (CID 120518519) is 2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1cc(C)c(OCc2cccnc2)c(C)c1)C(=O)O.
What is the InChIKey of 2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid?
The InChIKey is NSXXHKJYQAYYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-20(4,19(24)25)22-18(23)16-9-13(2)17(14(3)10-16)26-12-15-7-6-8-21-11-15/h6-11H,5,12H2,1-4H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid?
2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid has a molecular weight of 356.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 120518519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).