N-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide

C27H32N4O3 — CID 72697295

IUPACN-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN3CCCC3)ccc1-2
InChIInChI=1S/C27H32N4O3/c32-25(9-15-30-11-1-2-12-30)28-19-5-7-21-22-8-6-20(18-24(22)27(34)23(21)17-19)29-26(33)10-16-31-13-3-4-14-31/h5-8,17-18H,1-4,9-16H2,(H,28,32)(H,29,33)
InChIKeyQPRPNWICMDKXPM-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.75
Rot. Bonds8

About N-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide

N-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 72697295) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide
PubChem CID72697295
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC NameN-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CCN1CCCC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN3CCCC3)ccc1-2
InChIInChI=1S/C27H32N4O3/c32-25(9-15-30-11-1-2-12-30)28-19-5-7-21-22-8-6-20(18-24(22)27(34)23(21)17-19)29-26(33)10-16-31-13-3-4-14-31/h5-8,17-18H,1-4,9-16H2,(H,28,32)(H,29,33)
InChIKeyQPRPNWICMDKXPM-UHFFFAOYSA-N
XLogP3.75
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide (CID 72697295) is N-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide is O=C(CCN1CCCC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN3CCCC3)ccc1-2.
What is the InChIKey of N-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is QPRPNWICMDKXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c32-25(9-15-30-11-1-2-12-30)28-19-5-7-21-22-8-6-20(18-24(22)27(34)23(21)17-19)29-26(33)10-16-31-13-3-4-14-31/h5-8,17-18H,1-4,9-16H2,(H,28,32)(H,29,33).
What are the key properties of N-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide?
N-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 460.58 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-oxo-7-(3-pyrrolidin-1-ylpropanoylamino)fluoren-2-yl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 72697295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).