N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide

C30H36FN3O3 — CID 42725908

IUPACN-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCCN(C(=O)Nc1ccccc1F)c1ccc(Oc2ccccc2)cc1)CC(C)(C)C
InChIInChI=1S/C30H36FN3O3/c1-22(21-30(2,3)4)20-28(35)32-18-19-34(29(36)33-27-13-9-8-12-26(27)31)23-14-16-25(17-15-23)37-24-10-6-5-7-11-24/h5-17,22H,18-21H2,1-4H3,(H,32,35)(H,33,36)
InChIKeyYLMNADOORKONEL-UHFFFAOYSA-N
MW505.63 g/mol
LogP7.24
Rot. Bonds10

About N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide

N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide (PubChem CID 42725908) has the molecular formula C30H36FN3O3 and a molecular weight of 505.63 g/mol. Its IUPAC name is N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide
PubChem CID42725908
Molecular FormulaC30H36FN3O3
Molecular Weight505.63 g/mol
Exact Mass505.27
IUPAC NameN-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCCN(C(=O)Nc1ccccc1F)c1ccc(Oc2ccccc2)cc1)CC(C)(C)C
InChIInChI=1S/C30H36FN3O3/c1-22(21-30(2,3)4)20-28(35)32-18-19-34(29(36)33-27-13-9-8-12-26(27)31)23-14-16-25(17-15-23)37-24-10-6-5-7-11-24/h5-17,22H,18-21H2,1-4H3,(H,32,35)(H,33,36)
InChIKeyYLMNADOORKONEL-UHFFFAOYSA-N
XLogP7.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.63
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide 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-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]pentanamide
CID 42726504
3-(2-fluorophenyl)-1-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 42726113
1-[2-[(4-ethoxyphenyl)carbamoylamino]ethyl]-3-(2-fluorophenyl)-1-(4-phenoxyphenyl)urea
CID 42725951
N-[2-[4-fluoro-N-[(3-methylphenyl)carbamoyl]anilino]ethyl]-3,5,5-trimethylhexanamide
CID 42706900
N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 42727551
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]-3,5,5-trimethylhexanamide
CID 42726117
1-(4-phenoxyphenyl)-3-phenyl-1-[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 42708779
2-fluoro-N-[3-[N-[(2-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]benzamide
CID 42707024
4-tert-butyl-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]benzamide
CID 42726194
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 42707241
N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide
CID 42701379
3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 4210938

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide?
The IUPAC name of N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide (CID 42725908) is N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide?
The canonical SMILES for N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide is CC(CC(=O)NCCN(C(=O)Nc1ccccc1F)c1ccc(Oc2ccccc2)cc1)CC(C)(C)C.
What is the InChIKey of N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide?
The InChIKey is YLMNADOORKONEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O3/c1-22(21-30(2,3)4)20-28(35)32-18-19-34(29(36)33-27-13-9-8-12-26(27)31)23-14-16-25(17-15-23)37-24-10-6-5-7-11-24/h5-17,22H,18-21H2,1-4H3,(H,32,35)(H,33,36).
What are the key properties of N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide?
N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide has a molecular weight of 505.63 g/mol, XLogP of 7.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-[(2-fluorophenyl)carbamoyl]-4-phenoxyanilino]ethyl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 42725908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).