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

C17H27FN2O — CID 60501159

IUPAC3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
SMILESCC(C)CN(CCC(=O)Nc1cccc(F)c1)CC(C)C
InChIInChI=1S/C17H27FN2O/c1-13(2)11-20(12-14(3)4)9-8-17(21)19-16-7-5-6-15(18)10-16/h5-7,10,13-14H,8-9,11-12H2,1-4H3,(H,19,21)
InChIKeyZDRBWPUIXARBQP-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.77
Rot. Bonds8

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

3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide (PubChem CID 60501159) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
PubChem CID60501159
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
SMILESCC(C)CN(CCC(=O)Nc1cccc(F)c1)CC(C)C
InChIInChI=1S/C17H27FN2O/c1-13(2)11-20(12-14(3)4)9-8-17(21)19-16-7-5-6-15(18)10-16/h5-7,10,13-14H,8-9,11-12H2,1-4H3,(H,19,21)
InChIKeyZDRBWPUIXARBQP-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-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
CID 43587667
N-(3-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136966
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide
CID 126824367
2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid
CID 63065919
methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62026089
3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide
CID 52675226
3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
CID 90483417
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid
CID 43656451

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide (CID 60501159) is 3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide is CC(C)CN(CCC(=O)Nc1cccc(F)c1)CC(C)C.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide?
The InChIKey is ZDRBWPUIXARBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-13(2)11-20(12-14(3)4)9-8-17(21)19-16-7-5-6-15(18)10-16/h5-7,10,13-14H,8-9,11-12H2,1-4H3,(H,19,21).
What are the key properties of 3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide?
3-[bis(2-methylpropyl)amino]-N-(3-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-(3-fluorophenyl)propanamide is sourced from PubChem (CID 60501159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).