acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide

C27H52N4O6 — CID 144805741

About acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide

acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide (PubChem CID 144805741) has the molecular formula C27H52N4O6 and a molecular weight of 528.74 g/mol. Its IUPAC name is acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide.

Molecular Properties

• Compound Name: acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide
• PubChem CID: 144805741
• Molecular Formula: C27H52N4O6
• Molecular Weight: 528.74 g/mol
• Exact Mass: 528.39
• IUPAC Name: acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide
• SMILES: CC.CC(Cc1ccc(OC(C)(C)C)cc1)NC(=O)C(C)NC(C)(C)C.CC(N)=O.CNC=O.O=CO
• InChI: InChI=1S/C20H34N2O2.2C2H5NO.C2H6.CH2O2/c1-14(21-18(23)15(2)22-19(3,4)5)13-16-9-11-17(12-10-16)24-20(6,7)8;1-3-2-4;1-2(3)4;1-2;2-1-3/h9-12,14-15,22H,13H2,1-8H3,(H,21,23);2H,1H3,(H,3,4);1H3,(H2,3,4);1-2H3;1H,(H,2,3)
• InChIKey: CTAVRUUCAHAMOU-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 159.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.74
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide?

The IUPAC name of acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide (CID 144805741) is acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide.

What is the SMILES notation for acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide?

The canonical SMILES for acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide is CC.CC(Cc1ccc(OC(C)(C)C)cc1)NC(=O)C(C)NC(C)(C)C.CC(N)=O.CNC=O.O=CO.

What is the InChIKey of acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide?

The InChIKey is CTAVRUUCAHAMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2.2C2H5NO.C2H6.CH2O2/c1-14(21-18(23)15(2)22-19(3,4)5)13-16-9-11-17(12-10-16)24-20(6,7)8;1-3-2-4;1-2(3)4;1-2;2-1-3/h9-12,14-15,22H,13H2,1-8H3,(H,21,23);2H,1H3,(H,3,4);1H3,(H2,3,4);1-2H3;1H,(H,2,3).

What are the key properties of acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide?

acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide has a molecular weight of 528.74 g/mol, XLogP of 3.27, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for acetamide;2-(tert-butylamino)-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]propanamide;ethane;formic acid;N-methylformamide is sourced from PubChem (CID 144805741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).