9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate

C26H25NO5 — CID 170834099

IUPAC9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCC(=O)c1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H25NO5/c1-16(28)17-10-12-18(13-11-17)25(30)24(29)14-27-26(31)32-15-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-25,29-30H,14-15H2,1H3,(H,27,31)
InChIKeyRRRLLUWYTKVOGA-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.82
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170834099) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID170834099
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCC(=O)c1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H25NO5/c1-16(28)17-10-12-18(13-11-17)25(30)24(29)14-27-26(31)32-15-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-25,29-30H,14-15H2,1H3,(H,27,31)
InChIKeyRRRLLUWYTKVOGA-UHFFFAOYSA-N
XLogP3.82
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]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

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-iodophenyl)propyl]carbamate
CID 170835442
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-methylsulfanylphenyl)propyl]carbamate
CID 170833717
9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834495
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate
CID 170834215
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(4-hydroxyphenyl)phenyl]propyl]carbamate
CID 170835144
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(3-oxobutanoylamino)phenyl]propyl]carbamate
CID 170835141
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propyl]carbamate
CID 170834115
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-cyanophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834142
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-4-methylphenyl]propyl]carbamate
CID 170834112
9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755
9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170834905

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate (CID 170834099) is 9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate is CC(=O)c1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is RRRLLUWYTKVOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO5/c1-16(28)17-10-12-18(13-11-17)25(30)24(29)14-27-26(31)32-15-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-25,29-30H,14-15H2,1H3,(H,27,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 431.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).