N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide

C30H35N3O2 — CID 46070075

About N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide

N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide (PubChem CID 46070075) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide.

Molecular Properties

• Compound Name: N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide
• PubChem CID: 46070075
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide
• SMILES: CCC(C(=O)Nc1cccc(N2CCCN(Cc3ccc(C(C)C)cc3)C2=O)c1)c1ccccc1
• InChI: InChI=1S/C30H35N3O2/c1-4-28(25-10-6-5-7-11-25)29(34)31-26-12-8-13-27(20-26)33-19-9-18-32(30(33)35)21-23-14-16-24(17-15-23)22(2)3/h5-8,10-17,20,22,28H,4,9,18-19,21H2,1-3H3,(H,31,34)
• InChIKey: IYARSIJWJOGJEW-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide?

The IUPAC name of N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide (CID 46070075) is N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide.

What is the SMILES notation for N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide?

The canonical SMILES for N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide is CCC(C(=O)Nc1cccc(N2CCCN(Cc3ccc(C(C)C)cc3)C2=O)c1)c1ccccc1.

What is the InChIKey of N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide?

The InChIKey is IYARSIJWJOGJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-4-28(25-10-6-5-7-11-25)29(34)31-26-12-8-13-27(20-26)33-19-9-18-32(30(33)35)21-23-14-16-24(17-15-23)22(2)3/h5-8,10-17,20,22,28H,4,9,18-19,21H2,1-3H3,(H,31,34).

What are the key properties of N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide?

N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide has a molecular weight of 469.63 g/mol, XLogP of 6.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 46070075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).