3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide

C17H25FN2O2 — CID 113122832

IUPAC3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1F)CCC(C)C
InChIInChI=1S/C17H25FN2O2/c1-13(2)8-10-20(14(3)21)11-9-17(22)19-12-15-6-4-5-7-16(15)18/h4-7,13H,8-12H2,1-3H3,(H,19,22)
InChIKeyCACDBOQZFKATBV-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.73
Rot. Bonds8

About 3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide

3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 113122832) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID113122832
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1F)CCC(C)C
InChIInChI=1S/C17H25FN2O2/c1-13(2)8-10-20(14(3)21)11-9-17(22)19-12-15-6-4-5-7-16(15)18/h4-7,13H,8-12H2,1-3H3,(H,19,22)
InChIKeyCACDBOQZFKATBV-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120931
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
CID 113122843
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113121357
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113120923
3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113131702
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60851811
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-phenylpropyl)propanamide
CID 113120960
3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113131097
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113120912

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide (CID 113122832) is 3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccccc1F)CCC(C)C.
What is the InChIKey of 3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is CACDBOQZFKATBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13(2)8-10-20(14(3)21)11-9-17(22)19-12-15-6-4-5-7-16(15)18/h4-7,13H,8-12H2,1-3H3,(H,19,22).
What are the key properties of 3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide?
3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 308.40 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methylbutyl)amino]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 113122832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).