N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide

C32H34N4O2 — CID 23856573

IUPACN-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C32H34N4O2/c1-31(2,3)29(37)33-24-16-12-22(13-17-24)27-20-26(21-10-8-7-9-11-21)35-28(36-27)23-14-18-25(19-15-23)34-30(38)32(4,5)6/h7-20H,1-6H3,(H,33,37)(H,34,38)
InChIKeySJCUIESTLJYWOM-UHFFFAOYSA-N
MW506.65 g/mol
LogP7.45
Rot. Bonds5

About N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide

N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 23856573) has the molecular formula C32H34N4O2 and a molecular weight of 506.65 g/mol. Its IUPAC name is N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID23856573
Molecular FormulaC32H34N4O2
Molecular Weight506.65 g/mol
Exact Mass506.27
IUPAC NameN-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C32H34N4O2/c1-31(2,3)29(37)33-24-16-12-22(13-17-24)27-20-26(21-10-8-7-9-11-21)35-28(36-27)23-14-18-25(19-15-23)34-30(38)32(4,5)6/h7-20H,1-6H3,(H,33,37)(H,34,38)
InChIKeySJCUIESTLJYWOM-UHFFFAOYSA-N
XLogP7.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide (CID 23856573) is N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is SJCUIESTLJYWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O2/c1-31(2,3)29(37)33-24-16-12-22(13-17-24)27-20-26(21-10-8-7-9-11-21)35-28(36-27)23-14-18-25(19-15-23)34-30(38)32(4,5)6/h7-20H,1-6H3,(H,33,37)(H,34,38).
What are the key properties of N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 506.65 g/mol, XLogP of 7.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 23856573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).