N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide

C24H27F5N2O3 — CID 166977456

IUPACN-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESNCCCCCN(C(=O)C1CC(O)(C(F)(F)F)C1)c1cccc(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C24H27F5N2O3/c25-22(26)34-20-9-7-16(8-10-20)17-5-4-6-19(13-17)31(12-3-1-2-11-30)21(32)18-14-23(33,15-18)24(27,28)29/h4-10,13,18,22,33H,1-3,11-12,14-15,30H2
InChIKeyLMDVPOVCJBDHAY-UHFFFAOYSA-N
MW486.48 g/mol
LogP5.12
Rot. Bonds10

About N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide

N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 166977456) has the molecular formula C24H27F5N2O3 and a molecular weight of 486.48 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID166977456
Molecular FormulaC24H27F5N2O3
Molecular Weight486.48 g/mol
Exact Mass486.19
IUPAC NameN-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESNCCCCCN(C(=O)C1CC(O)(C(F)(F)F)C1)c1cccc(-c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C24H27F5N2O3/c25-22(26)34-20-9-7-16(8-10-20)17-5-4-6-19(13-17)31(12-3-1-2-11-30)21(32)18-14-23(33,15-18)24(27,28)29/h4-10,13,18,22,33H,1-3,11-12,14-15,30H2
InChIKeyLMDVPOVCJBDHAY-UHFFFAOYSA-N
XLogP5.12
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.48
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-amino-2-bicyclo[3.3.1]nonanyl)methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide
CID 166977455
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
CID 166977154
N-[3-[4-(4-amino-1,2,5-oxadiazol-3-yl)phenyl]phenyl]-N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide
CID 154683190
N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-4-fluoro-2-methylidenebutanamide
CID 166977110
3-[4-(difluoromethoxy)phenyl]benzoic acid
CID 71025160
N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide
CID 107206523
N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide
CID 43136734
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide
CID 154684098
N-(3-aminopropyl)-N-(3-methoxyphenyl)oxolane-3-carboxamide
CID 61271974
N-(3-bromophenyl)-N-[5-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]pentyl]-3-methyl-3-(trifluoromethyl)cyclobutane-1-carboxamide
CID 166977498
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide (CID 166977456) is N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide is NCCCCCN(C(=O)C1CC(O)(C(F)(F)F)C1)c1cccc(-c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is LMDVPOVCJBDHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F5N2O3/c25-22(26)34-20-9-7-16(8-10-20)17-5-4-6-19(13-17)31(12-3-1-2-11-30)21(32)18-14-23(33,15-18)24(27,28)29/h4-10,13,18,22,33H,1-3,11-12,14-15,30H2.
What are the key properties of N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide?
N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 486.48 g/mol, XLogP of 5.12, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 166977456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).