N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C33H35N3O5 — CID 19972425

About N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 19972425) has the molecular formula C33H35N3O5 and a molecular weight of 553.66 g/mol. Its IUPAC name is N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

• Compound Name: N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
• PubChem CID: 19972425
• Molecular Formula: C33H35N3O5
• Molecular Weight: 553.66 g/mol
• Exact Mass: 553.26
• IUPAC Name: N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
• SMILES: COc1ccccc1N1CCN(CCCN(C(C)=O)C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1
• InChI: InChI=1S/C33H35N3O5/c1-23-30(38)26-13-9-14-27(32(26)41-31(23)25-11-5-4-6-12-25)33(39)36(24(2)37)18-10-17-34-19-21-35(22-20-34)28-15-7-8-16-29(28)40-3/h4-9,11-16H,10,17-22H2,1-3H3
• InChIKey: CIIUNVUCNBEPEA-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 83.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.66
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?

The IUPAC name of N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 19972425) is N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

What is the SMILES notation for N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?

The canonical SMILES for N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is COc1ccccc1N1CCN(CCCN(C(C)=O)C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1.

What is the InChIKey of N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?

The InChIKey is CIIUNVUCNBEPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O5/c1-23-30(38)26-13-9-14-27(32(26)41-31(23)25-11-5-4-6-12-25)33(39)36(24(2)37)18-10-17-34-19-21-35(22-20-34)28-15-7-8-16-29(28)40-3/h4-9,11-16H,10,17-22H2,1-3H3.

What are the key properties of N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?

N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 553.66 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-acetyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 19972425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).