acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine

C35H54N4O3 — CID 142229291

About acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine

acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142229291) has the molecular formula C35H54N4O3 and a molecular weight of 578.84 g/mol. Its IUPAC name is acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

• Compound Name: acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine
• PubChem CID: 142229291
• Molecular Formula: C35H54N4O3
• Molecular Weight: 578.84 g/mol
• Exact Mass: 578.42
• IUPAC Name: acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine
• SMILES: CC(=O)CCc1ccc(OC(C)(C)C)cc1.CC(N)=O.CC1CCC(C)CC1.Cc1nc(N(C)C)c2ccccc2n1
• InChI: InChI=1S/C14H20O2.C11H13N3.C8H16.C2H5NO/c1-11(15)5-6-12-7-9-13(10-8-12)16-14(2,3)4;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-7-3-5-8(2)6-4-7;1-2(3)4/h7-10H,5-6H2,1-4H3;4-7H,1-3H3;7-8H,3-6H2,1-2H3;1H3,(H2,3,4)
• InChIKey: QHXVRNCVSUGZEG-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 98.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.84
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine?

The IUPAC name of acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine (CID 142229291) is acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine.

What is the SMILES notation for acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine?

The canonical SMILES for acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine is CC(=O)CCc1ccc(OC(C)(C)C)cc1.CC(N)=O.CC1CCC(C)CC1.Cc1nc(N(C)C)c2ccccc2n1.

What is the InChIKey of acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine?

The InChIKey is QHXVRNCVSUGZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C11H13N3.C8H16.C2H5NO/c1-11(15)5-6-12-7-9-13(10-8-12)16-14(2,3)4;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3;1-7-3-5-8(2)6-4-7;1-2(3)4/h7-10H,5-6H2,1-4H3;4-7H,1-3H3;7-8H,3-6H2,1-2H3;1H3,(H2,3,4).

What are the key properties of acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine?

acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 578.84 g/mol, XLogP of 7.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for acetamide;1,4-dimethylcyclohexane;4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-one;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142229291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).