N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide

C21H25NO3 — CID 171884083

IUPACN-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C21H25NO3/c1-13(23)22-11-10-19(24)20(25)14-8-9-16-15-6-4-5-7-17(15)21(2,3)18(16)12-14/h4-9,12,19-20,24-25H,10-11H2,1-3H3,(H,22,23)
InChIKeyQZQLOTMSHMIASG-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.91
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide

N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171884083) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide
PubChem CID171884083
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C21H25NO3/c1-13(23)22-11-10-19(24)20(25)14-8-9-16-15-6-4-5-7-17(15)21(2,3)18(16)12-14/h4-9,12,19-20,24-25H,10-11H2,1-3H3,(H,22,23)
InChIKeyQZQLOTMSHMIASG-UHFFFAOYSA-N
XLogP2.91
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9,9-dimethylfluoren-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891251
4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutanoic acid
CID 171878709
3-bromo-1-(9,9-dimethylfluoren-2-yl)propane-1,2-diol
CID 171861016
N-[3,4-dihydroxy-4-(3-nitrophenyl)butyl]acetamide
CID 171883148
N-[4-[3-(difluoromethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882893
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
N-[4-(3-amino-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882789
N-[4-(3-bromo-4-hydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884139
N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide
CID 171883218
N-[4-(3-amino-4-chlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882761
N-[4-[3-(bromomethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171884117
N-[3,4-dihydroxy-4-[3-(sulfanylmethyl)phenyl]butyl]acetamide
CID 171882570

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide (CID 171884083) is N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is QZQLOTMSHMIASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-13(23)22-11-10-19(24)20(25)14-8-9-16-15-6-4-5-7-17(15)21(2,3)18(16)12-14/h4-9,12,19-20,24-25H,10-11H2,1-3H3,(H,22,23).
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide?
N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171884083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).