9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate

C26H28N2O4 — CID 170834215

IUPAC9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate
SMILESCNCc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H28N2O4/c1-27-14-17-10-12-18(13-11-17)25(30)24(29)15-28-26(31)32-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-25,27,29-30H,14-16H2,1H3,(H,28,31)
InChIKeyWVVQNXBWWRWWME-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.34
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate (PubChem CID 170834215) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate
PubChem CID170834215
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate
SMILESCNCc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H28N2O4/c1-27-14-17-10-12-18(13-11-17)25(30)24(29)15-28-26(31)32-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-25,27,29-30H,14-16H2,1H3,(H,28,31)
InChIKeyWVVQNXBWWRWWME-UHFFFAOYSA-N
XLogP3.34
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propyl]carbamate
CID 170834115
9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834099
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-[2,3-dihydroxy-3-[4-(4-hydroxyphenyl)phenyl]propyl]carbamate
CID 170835144
4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid
CID 170835035
9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851
9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170834905
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-(3,4,5-trifluorophenyl)propyl]carbamate
CID 170834000
9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834495

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate (CID 170834215) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate is CNCc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate?
The InChIKey is WVVQNXBWWRWWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-27-14-17-10-12-18(13-11-17)25(30)24(29)15-28-26(31)32-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-25,27,29-30H,14-16H2,1H3,(H,28,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate?
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate has a molecular weight of 432.52 g/mol, XLogP of 3.34, 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-[2,3-dihydroxy-3-[4-(methylaminomethyl)phenyl]propyl]carbamate is sourced from PubChem (CID 170834215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).