N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide

C24H30N2O4 — CID 71770779

IUPACN-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide
SMILESO=C(CC1c2ccccc2-c2ccccc21)NCCCCN1C[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C24H30N2O4/c27-15-21-24(30)22(28)14-26(21)12-6-5-11-25-23(29)13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22,24,27-28,30H,5-6,11-15H2,(H,25,29)/t21-,22-,24-/m1/s1
InChIKeySQWSLZLKEMSSGX-CQOQZXRMSA-N
MW410.51 g/mol
LogP1.48
Rot. Bonds8

About N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide

N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide (PubChem CID 71770779) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide
PubChem CID71770779
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide
SMILESO=C(CC1c2ccccc2-c2ccccc21)NCCCCN1C[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C24H30N2O4/c27-15-21-24(30)22(28)14-26(21)12-6-5-11-25-23(29)13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22,24,27-28,30H,5-6,11-15H2,(H,25,29)/t21-,22-,24-/m1/s1
InChIKeySQWSLZLKEMSSGX-CQOQZXRMSA-N
XLogP1.48
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide?
The IUPAC name of N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide (CID 71770779) is N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide.
What is the SMILES notation for N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide?
The canonical SMILES for N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide is O=C(CC1c2ccccc2-c2ccccc21)NCCCCN1C[C@@H](O)[C@H](O)[C@H]1CO.
What is the InChIKey of N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide?
The InChIKey is SQWSLZLKEMSSGX-CQOQZXRMSA-N. The full InChI is InChI=1S/C24H30N2O4/c27-15-21-24(30)22(28)14-26(21)12-6-5-11-25-23(29)13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22,24,27-28,30H,5-6,11-15H2,(H,25,29)/t21-,22-,24-/m1/s1.
What are the key properties of N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide?
N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide has a molecular weight of 410.51 g/mol, XLogP of 1.48, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R,4R)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide is sourced from PubChem (CID 71770779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).