N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C19H25N3O3 — CID 136710896

About N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 136710896) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• PubChem CID: 136710896
• Molecular Formula: C19H25N3O3
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.19
• IUPAC Name: N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
• SMILES: C[C@@H]1CCC[C@@H](OCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)C1
• InChI: InChI=1S/C19H25N3O3/c1-13-6-5-7-14(10-13)25-12-18(23)22(2)11-17-20-16-9-4-3-8-15(16)19(24)21-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,20,21,24)/t13-,14-/m1/s1
• InChIKey: QMEGNWKPIJUOFD-ZIAGYGMSSA-N
• XLogP: 2.48
• TPSA: 75.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The IUPAC name of N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 136710896) is N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

What is the SMILES notation for N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The canonical SMILES for N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is C[C@@H]1CCC[C@@H](OCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)C1.

What is the InChIKey of N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

The InChIKey is QMEGNWKPIJUOFD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-6-5-7-14(10-13)25-12-18(23)22(2)11-17-20-16-9-4-3-8-15(16)19(24)21-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,20,21,24)/t13-,14-/m1/s1.

What are the key properties of N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?

N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 136710896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).