(2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide

C26H26N2O2 — CID 102365765

IUPAC(2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1CCCN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-27(30-2)25(29)24-17-10-18-28(24)26(19-11-4-3-5-12-19)22-15-8-6-13-20(22)21-14-7-9-16-23(21)26/h3-9,11-16,24H,10,17-18H2,1-2H3/t24-/m0/s1
InChIKeyKROJHOCHPCWMPG-DEOSSOPVSA-N
MW398.51 g/mol
LogP4.44
Rot. Bonds4

About (2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide

(2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide (PubChem CID 102365765) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide
PubChem CID102365765
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1CCCN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-27(30-2)25(29)24-17-10-18-28(24)26(19-11-4-3-5-12-19)22-15-8-6-13-20(22)21-14-7-9-16-23(21)26/h3-9,11-16,24H,10,17-18H2,1-2H3/t24-/m0/s1
InChIKeyKROJHOCHPCWMPG-DEOSSOPVSA-N
XLogP4.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide (CID 102365765) is (2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide is CON(C)C(=O)[C@@H]1CCCN1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide?
The InChIKey is KROJHOCHPCWMPG-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-27(30-2)25(29)24-17-10-18-28(24)26(19-11-4-3-5-12-19)22-15-8-6-13-20(22)21-14-7-9-16-23(21)26/h3-9,11-16,24H,10,17-18H2,1-2H3/t24-/m0/s1.
What are the key properties of (2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide?
(2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102365765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).