4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide

C21H28N2O3 — CID 10108936

IUPAC4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide
SMILESCCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C(N)=O)cc2C)c1C
InChIInChI=1S/C21H28N2O3/c1-7-17(8-2)25-18-11-14(5)23-21(15(18)6)26-19-12(3)9-16(20(22)24)10-13(19)4/h9-11,17H,7-8H2,1-6H3,(H2,22,24)
InChIKeyZPSJLQMQKUVCKZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.77
Rot. Bonds7

About 4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide

4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide (PubChem CID 10108936) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide
PubChem CID10108936
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide
SMILESCCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C(N)=O)cc2C)c1C
InChIInChI=1S/C21H28N2O3/c1-7-17(8-2)25-18-11-14(5)23-21(15(18)6)26-19-12(3)9-16(20(22)24)10-13(19)4/h9-11,17H,7-8H2,1-6H3,(H2,22,24)
InChIKeyZPSJLQMQKUVCKZ-UHFFFAOYSA-N
XLogP4.77
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide?
The IUPAC name of 4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide (CID 10108936) is 4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide.
What is the SMILES notation for 4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide?
The canonical SMILES for 4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide is CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C(N)=O)cc2C)c1C.
What is the InChIKey of 4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide?
The InChIKey is ZPSJLQMQKUVCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-7-17(8-2)25-18-11-14(5)23-21(15(18)6)26-19-12(3)9-16(20(22)24)10-13(19)4/h9-11,17H,7-8H2,1-6H3,(H2,22,24).
What are the key properties of 4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide?
4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide has a molecular weight of 356.47 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,6-dimethyl-4-pentan-3-yloxy-2-pyridinyl)oxy]-3,5-dimethylbenzamide is sourced from PubChem (CID 10108936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).