N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide

C24H23NO — CID 4615340

IUPACN-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide
SMILESCC(C)C(C(=O)NC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C24H23NO/c1-16(2)22(17-10-4-3-5-11-17)24(26)25-23-20-14-8-6-12-18(20)19-13-7-9-15-21(19)23/h3-16,22-23H,1-2H3,(H,25,26)
InChIKeyCJKNPZHEGPMBEY-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.31
Rot. Bonds4

About N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide

N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide (PubChem CID 4615340) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide
PubChem CID4615340
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC NameN-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide
SMILESCC(C)C(C(=O)NC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C24H23NO/c1-16(2)22(17-10-4-3-5-11-17)24(26)25-23-20-14-8-6-12-18(20)19-13-7-9-15-21(19)23/h3-16,22-23H,1-2H3,(H,25,26)
InChIKeyCJKNPZHEGPMBEY-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide?
The IUPAC name of N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide (CID 4615340) is N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide.
What is the SMILES notation for N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide?
The canonical SMILES for N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide is CC(C)C(C(=O)NC1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide?
The InChIKey is CJKNPZHEGPMBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-16(2)22(17-10-4-3-5-11-17)24(26)25-23-20-14-8-6-12-18(20)19-13-7-9-15-21(19)23/h3-16,22-23H,1-2H3,(H,25,26).
What are the key properties of N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide?
N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide has a molecular weight of 341.45 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)-3-methyl-2-phenylbutanamide is sourced from PubChem (CID 4615340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).