N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide

C21H33FN2O2 — CID 56521765

IUPACN',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)NC(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C21H33FN2O2/c1-6-24(7-2)20(26)10-8-9-19(25)23-18(15-21(3,4)5)16-11-13-17(22)14-12-16/h11-14,18H,6-10,15H2,1-5H3,(H,23,25)
InChIKeyYAOJAJYFQFSEMD-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.46
Rot. Bonds9

About N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide

N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide (PubChem CID 56521765) has the molecular formula C21H33FN2O2 and a molecular weight of 364.51 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide
PubChem CID56521765
Molecular FormulaC21H33FN2O2
Molecular Weight364.51 g/mol
Exact Mass364.25
IUPAC NameN',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)NC(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C21H33FN2O2/c1-6-24(7-2)20(26)10-8-9-19(25)23-18(15-21(3,4)5)16-11-13-17(22)14-12-16/h11-14,18H,6-10,15H2,1-5H3,(H,23,25)
InChIKeyYAOJAJYFQFSEMD-UHFFFAOYSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899211
N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide
CID 51954474
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]propanamide
CID 55751308
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
2-(4-aminophenyl)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide
CID 119724723
N-[3-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 47044236
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
CID 119724732
N-[2-[[1-(4-fluorophenyl)-3,3-dimethylbutyl]amino]-2-oxoethyl]-2-iodobenzamide
CID 60518469
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-thiomorpholin-4-ylacetamide
CID 86889513
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724736
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
1-cyclopropyl-3-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-1-(2-hydroxyethyl)urea
CID 110896367

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide?
The IUPAC name of N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide (CID 56521765) is N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide.
What is the SMILES notation for N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide?
The canonical SMILES for N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide is CCN(CC)C(=O)CCCC(=O)NC(CC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide?
The InChIKey is YAOJAJYFQFSEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN2O2/c1-6-24(7-2)20(26)10-8-9-19(25)23-18(15-21(3,4)5)16-11-13-17(22)14-12-16/h11-14,18H,6-10,15H2,1-5H3,(H,23,25).
What are the key properties of N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide?
N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide has a molecular weight of 364.51 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]pentanediamide is sourced from PubChem (CID 56521765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).