N-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide

C25H32N2O5 — CID 71770781

IUPACN-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide
SMILESO=C(CC1c2ccccc2-c2ccccc21)NCCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C25H32N2O5/c28-14-21-24(31)25(32)22(15-29)27(21)12-6-5-11-26-23(30)13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22,24-25,28-29,31-32H,5-6,11-15H2,(H,26,30)/t21-,22-,24-,25-/m1/s1
InChIKeyHGUCULVVKARDNB-WMMXXEOUSA-N
MW440.54 g/mol
LogP0.84
Rot. Bonds9

About N-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide

N-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide (PubChem CID 71770781) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide
PubChem CID71770781
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide
SMILESO=C(CC1c2ccccc2-c2ccccc21)NCCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C25H32N2O5/c28-14-21-24(31)25(32)22(15-29)27(21)12-6-5-11-26-23(30)13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22,24-25,28-29,31-32H,5-6,11-15H2,(H,26,30)/t21-,22-,24-,25-/m1/s1
InChIKeyHGUCULVVKARDNB-WMMXXEOUSA-N
XLogP0.84
TPSA113.26 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 50.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide?
The IUPAC name of N-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide (CID 71770781) is N-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide.
What is the SMILES notation for N-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide?
The canonical SMILES for N-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide is O=C(CC1c2ccccc2-c2ccccc21)NCCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO.
What is the InChIKey of N-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide?
The InChIKey is HGUCULVVKARDNB-WMMXXEOUSA-N. The full InChI is InChI=1S/C25H32N2O5/c28-14-21-24(31)25(32)22(15-29)27(21)12-6-5-11-26-23(30)13-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,20-22,24-25,28-29,31-32H,5-6,11-15H2,(H,26,30)/t21-,22-,24-,25-/m1/s1.
What are the key properties of N-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide?
N-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide has a molecular weight of 440.54 g/mol, XLogP of 0.84, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]butyl]-2-(9H-fluoren-9-yl)acetamide is sourced from PubChem (CID 71770781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).