(4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide

C28H31N3O3 — CID 112808183

About (4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide

(4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide (PubChem CID 112808183) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is (4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide.

Molecular Properties

• Compound Name: (4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide
• PubChem CID: 112808183
• Molecular Formula: C28H31N3O3
• Molecular Weight: 457.57 g/mol
• Exact Mass: 457.24
• IUPAC Name: (4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide
• SMILES: COc1ccc(/C=C2/CC(C)Cc3c2nc2ccccc2c3C(=O)N(CC(N)=O)C(C)C)cc1
• InChI: InChI=1S/C28H31N3O3/c1-17(2)31(16-25(29)32)28(33)26-22-7-5-6-8-24(22)30-27-20(13-18(3)14-23(26)27)15-19-9-11-21(34-4)12-10-19/h5-12,15,17-18H,13-14,16H2,1-4H3,(H2,29,32)/b20-15-
• InChIKey: NLYUVTKEDXAQGT-HKWRFOASSA-N
• XLogP: 4.70
• TPSA: 85.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.57
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide?

The IUPAC name of (4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide (CID 112808183) is (4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide.

What is the SMILES notation for (4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide?

The canonical SMILES for (4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide is COc1ccc(/C=C2/CC(C)Cc3c2nc2ccccc2c3C(=O)N(CC(N)=O)C(C)C)cc1.

What is the InChIKey of (4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide?

The InChIKey is NLYUVTKEDXAQGT-HKWRFOASSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-17(2)31(16-25(29)32)28(33)26-22-7-5-6-8-24(22)30-27-20(13-18(3)14-23(26)27)15-19-9-11-21(34-4)12-10-19/h5-12,15,17-18H,13-14,16H2,1-4H3,(H2,29,32)/b20-15-.

What are the key properties of (4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide?

(4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-N-(2-amino-2-oxoethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-N-propan-2-yl-2,3-dihydro-1H-acridine-9-carboxamide is sourced from PubChem (CID 112808183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).