9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate

C27H28N2O5 — CID 171887128

IUPAC9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate
SMILESCC(=O)Nc1ccc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H28N2O5/c1-17(30)29-19-12-10-18(11-13-19)26(32)25(31)14-15-28-27(33)34-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24-26,31-32H,14-16H2,1H3,(H,28,33)(H,29,30)
InChIKeyGLXLPKKKKQJZIB-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.97
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate (PubChem CID 171887128) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate
PubChem CID171887128
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate
SMILESCC(=O)Nc1ccc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H28N2O5/c1-17(30)29-19-12-10-18(11-13-19)26(32)25(31)14-15-28-27(33)34-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24-26,31-32H,14-16H2,1H3,(H,28,33)(H,29,30)
InChIKeyGLXLPKKKKQJZIB-UHFFFAOYSA-N
XLogP3.97
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171886469
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]carbamate
CID 171887228
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(3-oxobutanoylamino)phenyl]propyl]carbamate
CID 170835141
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-naphthalen-2-ylbutyl)carbamate
CID 171886819
tert-butyl 4-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzoate
CID 171887579
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]carbamate
CID 171887670
9H-fluoren-9-ylmethyl N-[4-(3,5-dimethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886928
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(3,4,5-trichlorophenyl)butyl]carbamate
CID 171886456
9H-fluoren-9-ylmethyl N-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171887620
5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzene-1,3-dicarboxylic acid
CID 171887482
methyl 5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyrimidine-2-carboxylate
CID 171887008

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate (CID 171887128) is 9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate is CC(=O)Nc1ccc(C(O)C(O)CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate?
The InChIKey is GLXLPKKKKQJZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-17(30)29-19-12-10-18(11-13-19)26(32)25(31)14-15-28-27(33)34-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24-26,31-32H,14-16H2,1H3,(H,28,33)(H,29,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate has a molecular weight of 460.53 g/mol, XLogP of 3.97, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-(4-acetamidophenyl)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171887128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).