4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide

C11H19F3N2O2 — CID 66257134

IUPAC4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-2-4-15-9-7-18-6-8(9)10(17)16-5-3-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyBAKJJMPVXMDOPJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.07
Rot. Bonds6

About 4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide

4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide (PubChem CID 66257134) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
PubChem CID66257134
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-2-4-15-9-7-18-6-8(9)10(17)16-5-3-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyBAKJJMPVXMDOPJ-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
CID 114154209
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
4,4,4-trifluoro-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587884
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585
N-[(1-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66257137
N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256718
N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide
CID 113487594
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
N-[2-(methanesulfonamido)-2-methylpropyl]-4-(propylamino)oxolane-3-carboxamide
CID 66254845
4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66237706

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The IUPAC name of 4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide (CID 66257134) is 4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The canonical SMILES for 4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCCC(F)(F)F.
What is the InChIKey of 4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
The InChIKey is BAKJJMPVXMDOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-4-15-9-7-18-6-8(9)10(17)16-5-3-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide?
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide is sourced from PubChem (CID 66257134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).