N-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide

C24H34F2N2O — CID 175632824

IUPACN-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide
SMILESNC1CCC(NC(=O)CCC2CC3(c4ccccc4)CCCC(C3)C2(F)F)CC1
InChIInChI=1S/C24H34F2N2O/c25-24(26)18-7-4-14-23(15-18,17-5-2-1-3-6-17)16-19(24)8-13-22(29)28-21-11-9-20(27)10-12-21/h1-3,5-6,18-21H,4,7-16,27H2,(H,28,29)
InChIKeyAXHHAQNFHPCLGX-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.94
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide

N-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide (PubChem CID 175632824) has the molecular formula C24H34F2N2O and a molecular weight of 404.55 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide
PubChem CID175632824
Molecular FormulaC24H34F2N2O
Molecular Weight404.55 g/mol
Exact Mass404.26
IUPAC NameN-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide
SMILESNC1CCC(NC(=O)CCC2CC3(c4ccccc4)CCCC(C3)C2(F)F)CC1
InChIInChI=1S/C24H34F2N2O/c25-24(26)18-7-4-14-23(15-18,17-5-2-1-3-6-17)16-19(24)8-13-22(29)28-21-11-9-20(27)10-12-21/h1-3,5-6,18-21H,4,7-16,27H2,(H,28,29)
InChIKeyAXHHAQNFHPCLGX-UHFFFAOYSA-N
XLogP4.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide (CID 175632824) is N-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide is NC1CCC(NC(=O)CCC2CC3(c4ccccc4)CCCC(C3)C2(F)F)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide?
The InChIKey is AXHHAQNFHPCLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2N2O/c25-24(26)18-7-4-14-23(15-18,17-5-2-1-3-6-17)16-19(24)8-13-22(29)28-21-11-9-20(27)10-12-21/h1-3,5-6,18-21H,4,7-16,27H2,(H,28,29).
What are the key properties of N-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide?
N-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide has a molecular weight of 404.55 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(4,4-difluoro-1-phenyl-3-bicyclo[3.3.1]nonanyl)propanamide is sourced from PubChem (CID 175632824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).