3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid

C20H24N2O4 — CID 120524284

IUPAC3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
SMILESCc1cc(C(=O)N(C)CC(C)C(=O)O)cc(C)c1OCc1cccnc1
InChIInChI=1S/C20H24N2O4/c1-13-8-17(19(23)22(4)11-15(3)20(24)25)9-14(2)18(13)26-12-16-6-5-7-21-10-16/h5-10,15H,11-12H2,1-4H3,(H,24,25)
InChIKeyVAPXZUOAHHXDMD-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.07
Rot. Bonds7

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

3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 120524284) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
PubChem CID120524284
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
SMILESCc1cc(C(=O)N(C)CC(C)C(=O)O)cc(C)c1OCc1cccnc1
InChIInChI=1S/C20H24N2O4/c1-13-8-17(19(23)22(4)11-15(3)20(24)25)9-14(2)18(13)26-12-16-6-5-7-21-10-16/h5-10,15H,11-12H2,1-4H3,(H,24,25)
InChIKeyVAPXZUOAHHXDMD-UHFFFAOYSA-N
XLogP3.07
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119656225
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
N-(1-cyanocyclobutyl)-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 51094657
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N-[2-(2-bromoanilino)-2-oxoethyl]-N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55758114
3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55691089
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55949228
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55691583
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613865
3-cyclopropyl-2-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]propanoic acid
CID 120535842
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid (CID 120524284) is 3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid is Cc1cc(C(=O)N(C)CC(C)C(=O)O)cc(C)c1OCc1cccnc1.
What is the InChIKey of 3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is VAPXZUOAHHXDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-8-17(19(23)22(4)11-15(3)20(24)25)9-14(2)18(13)26-12-16-6-5-7-21-10-16/h5-10,15H,11-12H2,1-4H3,(H,24,25).
What are the key properties of 3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid?
3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 356.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 120524284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).