4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide

C23H31N3O2 — CID 4883606

IUPAC4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccccn1
InChIInChI=1S/C23H31N3O2/c1-16(2)20(22(28)25-15-13-19-8-6-7-14-24-19)26-21(27)17-9-11-18(12-10-17)23(3,4)5/h6-12,14,16,20H,13,15H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyGLLXDNXKSFZHJQ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.49
Rot. Bonds7

About 4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide

4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide (PubChem CID 4883606) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
PubChem CID4883606
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccccn1
InChIInChI=1S/C23H31N3O2/c1-16(2)20(22(28)25-15-13-19-8-6-7-14-24-19)26-21(27)17-9-11-18(12-10-17)23(3,4)5/h6-12,14,16,20H,13,15H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyGLLXDNXKSFZHJQ-UHFFFAOYSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide (CID 4883606) is 4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccccn1.
What is the InChIKey of 4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide?
The InChIKey is GLLXDNXKSFZHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-16(2)20(22(28)25-15-13-19-8-6-7-14-24-19)26-21(27)17-9-11-18(12-10-17)23(3,4)5/h6-12,14,16,20H,13,15H2,1-5H3,(H,25,28)(H,26,27).
What are the key properties of 4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide?
4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide has a molecular weight of 381.52 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 4883606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).