4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide

C19H24N4O2 — CID 126827476

IUPAC4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccnc(CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H24N4O2/c1-13-9-10-20-16(23-13)11-21-17(24)12-22-18(25)14-5-7-15(8-6-14)19(2,3)4/h5-10H,11-12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyAJAKYBDDQKLHEB-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.13
Rot. Bonds5

About 4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 126827476) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID126827476
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccnc(CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C19H24N4O2/c1-13-9-10-20-16(23-13)11-21-17(24)12-22-18(25)14-5-7-15(8-6-14)19(2,3)4/h5-10H,11-12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyAJAKYBDDQKLHEB-UHFFFAOYSA-N
XLogP2.13
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 122151974
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide (CID 126827476) is 4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide is Cc1ccnc(CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is AJAKYBDDQKLHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-9-10-20-16(23-13)11-21-17(24)12-22-18(25)14-5-7-15(8-6-14)19(2,3)4/h5-10H,11-12H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.13, 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-[2-[(4-methylpyrimidin-2-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 126827476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).