N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide

C25H25NO2 — CID 22891520

IUPACN-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide
SMILESCCCC1(C(=O)NCC(O)c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H25NO2/c1-2-16-25(24(28)26-17-23(27)18-10-4-3-5-11-18)21-14-8-6-12-19(21)20-13-7-9-15-22(20)25/h3-15,23,27H,2,16-17H2,1H3,(H,26,28)
InChIKeyMBRIPQSCGUDBBO-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.60
Rot. Bonds6

About N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide

N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide (PubChem CID 22891520) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide
PubChem CID22891520
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC NameN-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide
SMILESCCCC1(C(=O)NCC(O)c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H25NO2/c1-2-16-25(24(28)26-17-23(27)18-10-4-3-5-11-18)21-14-8-6-12-19(21)20-13-7-9-15-22(20)25/h3-15,23,27H,2,16-17H2,1H3,(H,26,28)
InChIKeyMBRIPQSCGUDBBO-UHFFFAOYSA-N
XLogP4.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63127671
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CID 106974225
1-(9-propylfluoren-9-yl)butan-1-one
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9-(5-hydroxypentyl)-N-propylfluorene-9-carboxamide
CID 22891380
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pentyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 2057392
(2R)-2-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 102071059
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195494
N-(2-hydroxy-2-phenylethyl)-2-methoxyacetamide
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CID 40978744

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide (CID 22891520) is N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide is CCCC1(C(=O)NCC(O)c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide?
The InChIKey is MBRIPQSCGUDBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-2-16-25(24(28)26-17-23(27)18-10-4-3-5-11-18)21-14-8-6-12-19(21)20-13-7-9-15-22(20)25/h3-15,23,27H,2,16-17H2,1H3,(H,26,28).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide?
N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-9-propylfluorene-9-carboxamide is sourced from PubChem (CID 22891520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).