2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide

C18H23N3O — CID 3627237

IUPAC2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide
SMILESCc1ccnc(NC(=O)C(C)c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C18H23N3O/c1-12(2)11-15-5-7-16(8-6-15)14(4)17(22)21-18-19-10-9-13(3)20-18/h5-10,12,14H,11H2,1-4H3,(H,19,20,21,22)
InChIKeyNZBLZMAORICKJQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.73
Rot. Bonds5

About 2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide

2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide (PubChem CID 3627237) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide
PubChem CID3627237
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide
SMILESCc1ccnc(NC(=O)C(C)c2ccc(CC(C)C)cc2)n1
InChIInChI=1S/C18H23N3O/c1-12(2)11-15-5-7-16(8-6-15)14(4)17(22)21-18-19-10-9-13(3)20-18/h5-10,12,14H,11H2,1-4H3,(H,19,20,21,22)
InChIKeyNZBLZMAORICKJQ-UHFFFAOYSA-N
XLogP3.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide (CID 3627237) is 2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide is Cc1ccnc(NC(=O)C(C)c2ccc(CC(C)C)cc2)n1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide?
The InChIKey is NZBLZMAORICKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12(2)11-15-5-7-16(8-6-15)14(4)17(22)21-18-19-10-9-13(3)20-18/h5-10,12,14H,11H2,1-4H3,(H,19,20,21,22).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide?
2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide has a molecular weight of 297.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 3627237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).