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

C22H29N3O2 — CID 4883775

IUPAC4-tert-butyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccn1
InChIInChI=1S/C22H29N3O2/c1-15(2)19(21(27)24-14-18-8-6-7-13-23-18)25-20(26)16-9-11-17(12-10-16)22(3,4)5/h6-13,15,19H,14H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyKCJFAUNSUUWTQL-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.45
Rot. Bonds6

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

4-tert-butyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide (PubChem CID 4883775) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide
PubChem CID4883775
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-tert-butyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccn1
InChIInChI=1S/C22H29N3O2/c1-15(2)19(21(27)24-14-18-8-6-7-13-23-18)25-20(26)16-9-11-17(12-10-16)22(3,4)5/h6-13,15,19H,14H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyKCJFAUNSUUWTQL-UHFFFAOYSA-N
XLogP3.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.45
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-(pyridin-2-ylmethylamino)butan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide (CID 4883775) is 4-tert-butyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccn1.
What is the InChIKey of 4-tert-butyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide?
The InChIKey is KCJFAUNSUUWTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15(2)19(21(27)24-14-18-8-6-7-13-23-18)25-20(26)16-9-11-17(12-10-16)22(3,4)5/h6-13,15,19H,14H2,1-5H3,(H,24,27)(H,25,26).
What are the key properties of 4-tert-butyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide?
4-tert-butyl-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.45, 6 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-(pyridin-2-ylmethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 4883775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).