9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate

C33H47NO4 — CID 124545373

IUPAC9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C33H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-32(36)31(24-35)34-33(37)38-25-30-28-21-17-15-19-26(28)27-20-16-18-22-29(27)30/h14-23,30-32,35-36H,2-13,24-25H2,1H3,(H,34,37)/b23-14+/t31-,32-/m1/s1
InChIKeyGCNQQIYQAZKODL-DDJFFDMVSA-N
MW521.74 g/mol
LogP7.50
Rot. Bonds18

About 9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate (PubChem CID 124545373) has the molecular formula C33H47NO4 and a molecular weight of 521.74 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate
PubChem CID124545373
Molecular FormulaC33H47NO4
Molecular Weight521.74 g/mol
Exact Mass521.35
IUPAC Name9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C33H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-32(36)31(24-35)34-33(37)38-25-30-28-21-17-15-19-26(28)27-20-16-18-22-29(27)30/h14-23,30-32,35-36H,2-13,24-25H2,1H3,(H,34,37)/b23-14+/t31-,32-/m1/s1
InChIKeyGCNQQIYQAZKODL-DDJFFDMVSA-N
XLogP7.50
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.74
LogP ≤ 57.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxyoctadec-4-en-3-yl] benzoate
CID 4226385
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
CID 10759678
N-[(E,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
CID 10427441
9H-fluoren-9-ylmethyl N-[1-(octadecylamino)-1-oxopropan-2-yl]carbamate
CID 102097431
[(9Z,27Z)-hexatriaconta-9,27-dien-18-yl] (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 165402743
[(9Z,27Z)-hexatriaconta-9,27-dien-18-yl] (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 165402721
(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hexadecyl-[(Z)-octadec-9-enyl]azanide
CID 131729180
N-[(E,2S,3R)-1,3-dihydroxypentadec-4-en-2-yl]docosanamide
CID 70698935
N-[(E)-1,3-dihydroxyheptacos-4-en-2-yl]tricosanamide
CID 138270712

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate (CID 124545373) is 9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate is CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate?
The InChIKey is GCNQQIYQAZKODL-DDJFFDMVSA-N. The full InChI is InChI=1S/C33H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-23-32(36)31(24-35)34-33(37)38-25-30-28-21-17-15-19-26(28)27-20-16-18-22-29(27)30/h14-23,30-32,35-36H,2-13,24-25H2,1H3,(H,34,37)/b23-14+/t31-,32-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate has a molecular weight of 521.74 g/mol, XLogP of 7.50, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(E,2R,3R)-1,3-dihydroxyoctadec-4-en-2-yl]carbamate is sourced from PubChem (CID 124545373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).