4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide

C24H25N3O3 — CID 25260822

IUPAC4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide
SMILESCc1ncccc1Oc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C24H25N3O3/c1-15-20(9-6-12-26-15)30-21-14-17(24(2,3)4)10-11-19(21)23(29)27-18-8-5-7-16(13-18)22(25)28/h5-14H,1-4H3,(H2,25,28)(H,27,29)
InChIKeyGRLVYABWOUMTKX-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.83
Rot. Bonds5

About 4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide

4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide (PubChem CID 25260822) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide
PubChem CID25260822
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide
SMILESCc1ncccc1Oc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C24H25N3O3/c1-15-20(9-6-12-26-15)30-21-14-17(24(2,3)4)10-11-19(21)23(29)27-18-8-5-7-16(13-18)22(25)28/h5-14H,1-4H3,(H2,25,28)(H,27,29)
InChIKeyGRLVYABWOUMTKX-UHFFFAOYSA-N
XLogP4.83
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide?
The IUPAC name of 4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide (CID 25260822) is 4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide is Cc1ncccc1Oc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide?
The InChIKey is GRLVYABWOUMTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15-20(9-6-12-26-15)30-21-14-17(24(2,3)4)10-11-19(21)23(29)27-18-8-5-7-16(13-18)22(25)28/h5-14H,1-4H3,(H2,25,28)(H,27,29).
What are the key properties of 4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide?
4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide has a molecular weight of 403.48 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-carbamoylphenyl)-2-[(2-methyl-3-pyridinyl)oxy]benzamide is sourced from PubChem (CID 25260822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).