N-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide

C19H21NO3 — CID 18933687

IUPACN-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1c2cc(O)ccc2-c2ccc(OC)cc21
InChIInChI=1S/C19H21NO3/c1-3-19(22)20-9-8-16-17-10-12(21)4-6-14(17)15-7-5-13(23-2)11-18(15)16/h4-7,10-11,16,21H,3,8-9H2,1-2H3,(H,20,22)
InChIKeyYQKLDKKVPLKBPR-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide

N-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide (PubChem CID 18933687) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide
PubChem CID18933687
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1c2cc(O)ccc2-c2ccc(OC)cc21
InChIInChI=1S/C19H21NO3/c1-3-19(22)20-9-8-16-17-10-12(21)4-6-14(17)15-7-5-13(23-2)11-18(15)16/h4-7,10-11,16,21H,3,8-9H2,1-2H3,(H,20,22)
InChIKeyYQKLDKKVPLKBPR-UHFFFAOYSA-N
XLogP3.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide (CID 18933687) is N-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide is CCC(=O)NCCC1c2cc(O)ccc2-c2ccc(OC)cc21.
What is the InChIKey of N-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide?
The InChIKey is YQKLDKKVPLKBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-19(22)20-9-8-16-17-10-12(21)4-6-14(17)15-7-5-13(23-2)11-18(15)16/h4-7,10-11,16,21H,3,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide?
N-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide has a molecular weight of 311.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxy-7-methoxy-9H-fluoren-9-yl)ethyl]propanamide is sourced from PubChem (CID 18933687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).