N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide

C13H24F2N2O — CID 114223914

IUPACN-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNCC1CCC(F)(F)C1
InChIInChI=1S/C13H24F2N2O/c1-12(2,3)17-11(18)5-7-16-9-10-4-6-13(14,15)8-10/h10,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyXXIUIWPGCCKVDO-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.32
Rot. Bonds5

About N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide

N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide (PubChem CID 114223914) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide
PubChem CID114223914
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC NameN-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide
SMILESCC(C)(C)NC(=O)CCNCC1CCC(F)(F)C1
InChIInChI=1S/C13H24F2N2O/c1-12(2,3)17-11(18)5-7-16-9-10-4-6-13(14,15)8-10/h10,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyXXIUIWPGCCKVDO-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 112688557
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3-[(3,3-difluorocyclopentyl)methylcarbamoylamino]propanoic acid
CID 122012735
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CID 109016044
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CID 106932485
N-tert-butyl-3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]propanamide
CID 113409928
2-chloro-N-[1-(4,4-difluorocyclohexyl)-2-methylpropan-2-yl]acetamide
CID 67530857
4-(tert-butylamino)-1-(3,3-difluorocyclohexyl)butan-2-one
CID 114225545
N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 115605400
N-tert-butyl-3-(2-methylbutylamino)propanamide
CID 115887441
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid
CID 103263129
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide (CID 114223914) is N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide is CC(C)(C)NC(=O)CCNCC1CCC(F)(F)C1.
What is the InChIKey of N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide?
The InChIKey is XXIUIWPGCCKVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-12(2,3)17-11(18)5-7-16-9-10-4-6-13(14,15)8-10/h10,16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide?
N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide has a molecular weight of 262.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide is sourced from PubChem (CID 114223914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).