3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide

C17H25FN2O2 — CID 47006436

IUPAC3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide
SMILESCC(=O)CC(C)(C)NC(=O)CCNC(C)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-12(21)11-17(3,4)20-16(22)9-10-19-13(2)14-5-7-15(18)8-6-14/h5-8,13,19H,9-11H2,1-4H3,(H,20,22)
InChIKeyABQCSAFWFCITRA-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.74
Rot. Bonds8

About 3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide

3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide (PubChem CID 47006436) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide
PubChem CID47006436
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide
SMILESCC(=O)CC(C)(C)NC(=O)CCNC(C)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-12(21)11-17(3,4)20-16(22)9-10-19-13(2)14-5-7-15(18)8-6-14/h5-8,13,19H,9-11H2,1-4H3,(H,20,22)
InChIKeyABQCSAFWFCITRA-UHFFFAOYSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347490
3-[1-(4-fluorophenyl)ethylamino]propanoic acid
CID 43087255
N-[1-(4-fluorophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 114449108
ethyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]propanoate
CID 81348224
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 81348060
methyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2,2-dimethylpropanoate
CID 81348035
N-tert-butyl-3-(4-fluoroanilino)propanamide
CID 109031342
3-[1-(3,5-difluorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 112700113
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762
3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 55098195
N-[1-(4-fluorophenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552508

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide (CID 47006436) is 3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide is CC(=O)CC(C)(C)NC(=O)CCNC(C)c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide?
The InChIKey is ABQCSAFWFCITRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12(21)11-17(3,4)20-16(22)9-10-19-13(2)14-5-7-15(18)8-6-14/h5-8,13,19H,9-11H2,1-4H3,(H,20,22).
What are the key properties of 3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide?
3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide has a molecular weight of 308.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)ethylamino]-N-(2-methyl-4-oxopentan-2-yl)propanamide is sourced from PubChem (CID 47006436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).