N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide

C15H23FN2O — CID 62677429

IUPACN-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(CCCN)c1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-4-15(2,3)14(19)18(10-6-9-17)13-8-5-7-12(16)11-13/h5,7-8,11H,4,6,9-10,17H2,1-3H3
InChIKeyFORHHVSTWZMHKP-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.94
Rot. Bonds6

About N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide

N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide (PubChem CID 62677429) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
PubChem CID62677429
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(CCCN)c1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-4-15(2,3)14(19)18(10-6-9-17)13-8-5-7-12(16)11-13/h5,7-8,11H,4,6,9-10,17H2,1-3H3
InChIKeyFORHHVSTWZMHKP-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
1-(3-aminopropyl)-3-ethyl-1-(3-fluorophenyl)urea
CID 43164864
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 28767293
N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 71107115
N-butyl-N-(3-ethylphenyl)-2,2-dimethylbutanamide
CID 71107442
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-(3-aminopropyl)-5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 79095264
N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide
CID 18736125
N-(3-aminopropyl)-3-fluoro-N-(3-methylphenyl)benzamide
CID 28766949
3-[N-(2,2-dimethylpropanoyl)-3-fluoroanilino]propanoic acid
CID 28764336
4-[N-(3-aminopropyl)-3-fluoroanilino]-2-methylbutan-2-ol
CID 79361728
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 62920963

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide (CID 62677429) is N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)N(CCCN)c1cccc(F)c1.
What is the InChIKey of N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide?
The InChIKey is FORHHVSTWZMHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-15(2,3)14(19)18(10-6-9-17)13-8-5-7-12(16)11-13/h5,7-8,11H,4,6,9-10,17H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide?
N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide has a molecular weight of 266.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(3-fluorophenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 62677429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).