N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide

C24H32F3N3O — CID 154663631

IUPACN-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(N(CCC)Cc2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C24H32F3N3O/c1-3-5-6-7-8-23(31)29-22-14-13-20(16-21(22)28)30(15-4-2)17-18-9-11-19(12-10-18)24(25,26)27/h9-14,16H,3-8,15,17,28H2,1-2H3,(H,29,31)
InChIKeyADKDGCBDBDORMG-UHFFFAOYSA-N
MW435.53 g/mol
LogP6.61
Rot. Bonds11

About N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide

N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide (PubChem CID 154663631) has the molecular formula C24H32F3N3O and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide.

Molecular Properties

Compound NameN-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide
PubChem CID154663631
Molecular FormulaC24H32F3N3O
Molecular Weight435.53 g/mol
Exact Mass435.25
IUPAC NameN-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(N(CCC)Cc2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C24H32F3N3O/c1-3-5-6-7-8-23(31)29-22-14-13-20(16-21(22)28)30(15-4-2)17-18-9-11-19(12-10-18)24(25,26)27/h9-14,16H,3-8,15,17,28H2,1-2H3,(H,29,31)
InChIKeyADKDGCBDBDORMG-UHFFFAOYSA-N
XLogP6.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide?
The IUPAC name of N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide (CID 154663631) is N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide.
What is the SMILES notation for N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide?
The canonical SMILES for N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide is CCCCCCC(=O)Nc1ccc(N(CCC)Cc2ccc(C(F)(F)F)cc2)cc1N.
What is the InChIKey of N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide?
The InChIKey is ADKDGCBDBDORMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O/c1-3-5-6-7-8-23(31)29-22-14-13-20(16-21(22)28)30(15-4-2)17-18-9-11-19(12-10-18)24(25,26)27/h9-14,16H,3-8,15,17,28H2,1-2H3,(H,29,31).
What are the key properties of N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide?
N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide has a molecular weight of 435.53 g/mol, XLogP of 6.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]heptanamide is sourced from PubChem (CID 154663631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).