4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide

C19H23N3O3 — CID 126828134

IUPAC4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NCc2cc(=O)cc[nH]2)cc1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)14-6-4-13(5-7-14)18(25)22-12-17(24)21-11-15-10-16(23)8-9-20-15/h4-10H,11-12H2,1-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyYRPHFAGTRJNUEC-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.72
Rot. Bonds5

About 4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide

4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide (PubChem CID 126828134) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide
PubChem CID126828134
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)NCc2cc(=O)cc[nH]2)cc1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)14-6-4-13(5-7-14)18(25)22-12-17(24)21-11-15-10-16(23)8-9-20-15/h4-10H,11-12H2,1-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyYRPHFAGTRJNUEC-UHFFFAOYSA-N
XLogP1.72
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide (CID 126828134) is 4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCC(=O)NCc2cc(=O)cc[nH]2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide?
The InChIKey is YRPHFAGTRJNUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2,3)14-6-4-13(5-7-14)18(25)22-12-17(24)21-11-15-10-16(23)8-9-20-15/h4-10H,11-12H2,1-3H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide?
4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-oxo-2-[(4-oxo-1H-pyridin-2-yl)methylamino]ethyl]benzamide is sourced from PubChem (CID 126828134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).