N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide

C28H30N2O3 — CID 57026316

About N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide

N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide (PubChem CID 57026316) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide
• PubChem CID: 57026316
• Molecular Formula: C28H30N2O3
• Molecular Weight: 442.56 g/mol
• Exact Mass: 442.23
• IUPAC Name: N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide
• SMILES: COc1ccc([C@@H](CN2CC[C@H](O)C2)N(C)C(=O)C2c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C28H30N2O3/c1-29(26(18-30-16-15-20(31)17-30)19-11-13-21(33-2)14-12-19)28(32)27-24-9-5-3-7-22(24)23-8-4-6-10-25(23)27/h3-14,20,26-27,31H,15-18H2,1-2H3/t20-,26+/m0/s1
• InChIKey: SEYXLOSWLJFRSH-RXFWQSSRSA-N
• XLogP: 4.07
• TPSA: 53.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.56
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide?

The IUPAC name of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide (CID 57026316) is N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide.

What is the SMILES notation for N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide?

The canonical SMILES for N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide is COc1ccc([C@@H](CN2CC[C@H](O)C2)N(C)C(=O)C2c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide?

The InChIKey is SEYXLOSWLJFRSH-RXFWQSSRSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-29(26(18-30-16-15-20(31)17-30)19-11-13-21(33-2)14-12-19)28(32)27-24-9-5-3-7-22(24)23-8-4-6-10-25(23)27/h3-14,20,26-27,31H,15-18H2,1-2H3/t20-,26+/m0/s1.

What are the key properties of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide?

N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methyl-9H-fluorene-9-carboxamide is sourced from PubChem (CID 57026316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).