N-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide

C17H23NO2 — CID 15157357

IUPACN-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1c2c(O)ccc(C)c2C2CCCCC21
InChIInChI=1S/C17H23NO2/c1-10-8-9-14(20)16-15(10)12-6-4-5-7-13(12)17(16)18(3)11(2)19/h8-9,12-13,17,20H,4-7H2,1-3H3
InChIKeyINEWAMTXHNQQRB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.51
Rot. Bonds1

About N-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide

N-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide (PubChem CID 15157357) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide
PubChem CID15157357
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1c2c(O)ccc(C)c2C2CCCCC21
InChIInChI=1S/C17H23NO2/c1-10-8-9-14(20)16-15(10)12-6-4-5-7-13(12)17(16)18(3)11(2)19/h8-9,12-13,17,20H,4-7H2,1-3H3
InChIKeyINEWAMTXHNQQRB-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide?
The IUPAC name of N-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide (CID 15157357) is N-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide.
What is the SMILES notation for N-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide?
The canonical SMILES for N-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide is CC(=O)N(C)C1c2c(O)ccc(C)c2C2CCCCC21.
What is the InChIKey of N-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide?
The InChIKey is INEWAMTXHNQQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-10-8-9-14(20)16-15(10)12-6-4-5-7-13(12)17(16)18(3)11(2)19/h8-9,12-13,17,20H,4-7H2,1-3H3.
What are the key properties of N-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide?
N-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide has a molecular weight of 273.38 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxy-5-methyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)-N-methylacetamide is sourced from PubChem (CID 15157357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).