N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide

C30H32N2O4 — CID 4086892

About N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide

N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 4086892) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 4086892
• Molecular Formula: C30H32N2O4
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.24
• IUPAC Name: N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: CCOC1OC(C(=O)Nc2ccccc2N)=CC(c2cccc3c2Cc2ccccc2-3)C1CCCO
• InChI: InChI=1S/C30H32N2O4/c1-2-35-30-23(13-8-16-33)25(18-28(36-30)29(34)32-27-15-6-5-14-26(27)31)22-12-7-11-21-20-10-4-3-9-19(20)17-24(21)22/h3-7,9-12,14-15,18,23,25,30,33H,2,8,13,16-17,31H2,1H3,(H,32,34)
• InChIKey: SYEPWAIGWLJRQB-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 93.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 4086892) is N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide is CCOC1OC(C(=O)Nc2ccccc2N)=CC(c2cccc3c2Cc2ccccc2-3)C1CCCO.

What is the InChIKey of N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is SYEPWAIGWLJRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-2-35-30-23(13-8-16-33)25(18-28(36-30)29(34)32-27-15-6-5-14-26(27)31)22-12-7-11-21-20-10-4-3-9-19(20)17-24(21)22/h3-7,9-12,14-15,18,23,25,30,33H,2,8,13,16-17,31H2,1H3,(H,32,34).

What are the key properties of N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?

N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 5.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 4086892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).