3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide

C17H25FN2O2 — CID 113116151

IUPAC3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCCC(C)N(CCC(=O)NCCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C17H25FN2O2/c1-4-13(2)20(14(3)21)12-10-17(22)19-11-9-15-5-7-16(18)8-6-15/h5-8,13H,4,9-12H2,1-3H3,(H,19,22)
InChIKeyIVSSWKDDFMVWDV-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.52
Rot. Bonds8

About 3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide

3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 113116151) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID113116151
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCCC(C)N(CCC(=O)NCCc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C17H25FN2O2/c1-4-13(2)20(14(3)21)12-10-17(22)19-11-9-15-5-7-16(18)8-6-15/h5-8,13H,4,9-12H2,1-3H3,(H,19,22)
InChIKeyIVSSWKDDFMVWDV-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide
CID 113116187
2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113161982
3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 113116142
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]butanamide
CID 113055720
N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide
CID 109024992
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113052697
N-[2-(4-fluorophenyl)ethyl]-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334683
3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
CID 113116212
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 113121058

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 113116151) is 3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide is CCC(C)N(CCC(=O)NCCc1ccc(F)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is IVSSWKDDFMVWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-4-13(2)20(14(3)21)12-10-17(22)19-11-9-15-5-7-16(18)8-6-15/h5-8,13H,4,9-12H2,1-3H3,(H,19,22).
What are the key properties of 3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 308.40 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 113116151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).