4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide

C21H25N3O2 — CID 110666699

IUPAC4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCNC3=O)cc2)cc1
InChIInChI=1S/C21H25N3O2/c1-21(2,3)16-7-5-15(6-8-16)19(25)23-17-9-11-18(12-10-17)24-14-4-13-22-20(24)26/h5-12H,4,13-14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyKRUSYASRPPXFPR-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.16
Rot. Bonds3

About 4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide

4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide (PubChem CID 110666699) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
PubChem CID110666699
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCNC3=O)cc2)cc1
InChIInChI=1S/C21H25N3O2/c1-21(2,3)16-7-5-15(6-8-16)19(25)23-17-9-11-18(12-10-17)24-14-4-13-22-20(24)26/h5-12H,4,13-14H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyKRUSYASRPPXFPR-UHFFFAOYSA-N
XLogP4.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666698
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666665
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110666657
4-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299854
4-methylsulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 78831513
3-bromo-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666688
1-(2,2-dimethylpropyl)-3-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]urea
CID 110666800
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide
CID 110666666
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
N-[4-(4-methylphenoxy)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 134055639
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51300167
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide (CID 110666699) is 4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCNC3=O)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide?
The InChIKey is KRUSYASRPPXFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-21(2,3)16-7-5-15(6-8-16)19(25)23-17-9-11-18(12-10-17)24-14-4-13-22-20(24)26/h5-12H,4,13-14H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide?
4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide is sourced from PubChem (CID 110666699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).