(3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

C22H24N4O3 — CID 135877147

About (3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

(3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135877147) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: (3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• PubChem CID: 135877147
• Molecular Formula: C22H24N4O3
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.18
• IUPAC Name: (3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• SMILES: CC(=O)N[C@H](CC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(C)cc1
• InChI: InChI=1S/C22H24N4O3/c1-14-8-10-16(11-9-14)19(23-15(2)27)12-21(28)26(3)13-20-24-18-7-5-4-6-17(18)22(29)25-20/h4-11,19H,12-13H2,1-3H3,(H,23,27)(H,24,25,29)/t19-/m1/s1
• InChIKey: WJZYISSKIOYOOX-LJQANCHMSA-N
• XLogP: 2.46
• TPSA: 95.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The IUPAC name of (3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135877147) is (3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

What is the SMILES notation for (3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The canonical SMILES for (3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is CC(=O)N[C@H](CC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1)c1ccc(C)cc1.

What is the InChIKey of (3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The InChIKey is WJZYISSKIOYOOX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-8-10-16(11-9-14)19(23-15(2)27)12-21(28)26(3)13-20-24-18-7-5-4-6-17(18)22(29)25-20/h4-11,19H,12-13H2,1-3H3,(H,23,27)(H,24,25,29)/t19-/m1/s1.

What are the key properties of (3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

(3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 392.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135877147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).