3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide

C17H27FN2O — CID 52675226

IUPAC3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide
SMILESCC(C)CN(CCC(=O)Nc1ccccc1F)CC(C)C
InChIInChI=1S/C17H27FN2O/c1-13(2)11-20(12-14(3)4)10-9-17(21)19-16-8-6-5-7-15(16)18/h5-8,13-14H,9-12H2,1-4H3,(H,19,21)
InChIKeyGULDYAHWKGXCMX-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.77
Rot. Bonds8

About 3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide

3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide (PubChem CID 52675226) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide
PubChem CID52675226
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide
SMILESCC(C)CN(CCC(=O)Nc1ccccc1F)CC(C)C
InChIInChI=1S/C17H27FN2O/c1-13(2)11-20(12-14(3)4)10-9-17(21)19-16-8-6-5-7-15(16)18/h5-8,13-14H,9-12H2,1-4H3,(H,19,21)
InChIKeyGULDYAHWKGXCMX-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136920
2-[acetyl(2-methylpropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113158923
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973
3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
N-(2-fluorophenyl)butanamide
CID 849021
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
N-[3-(2-fluoroanilino)-3-oxopropyl]-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 4305311
N-(2-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107204141
2-[3-(2-fluoroanilino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354206
N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 43273334
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
N-(2-fluorophenyl)hexanamide
CID 3481165

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide (CID 52675226) is 3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide is CC(C)CN(CCC(=O)Nc1ccccc1F)CC(C)C.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide?
The InChIKey is GULDYAHWKGXCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-13(2)11-20(12-14(3)4)10-9-17(21)19-16-8-6-5-7-15(16)18/h5-8,13-14H,9-12H2,1-4H3,(H,19,21).
What are the key properties of 3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide?
3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide has a molecular weight of 294.41 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 52675226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).