3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide

C9H18F2N2O — CID 102869439

IUPAC3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNC(C)C(F)F
InChIInChI=1S/C9H18F2N2O/c1-3-5-13-8(14)4-6-12-7(2)9(10)11/h7,9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyDGCWCPCUBYMMOD-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.15
Rot. Bonds7

About 3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide

3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide (PubChem CID 102869439) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide
PubChem CID102869439
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNC(C)C(F)F
InChIInChI=1S/C9H18F2N2O/c1-3-5-13-8(14)4-6-12-7(2)9(10)11/h7,9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyDGCWCPCUBYMMOD-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1-difluoropropan-2-ylamino)propanamide
CID 102868267
3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide
CID 60547146
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
3-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propylpropanamide
CID 77032361
3-bromo-N-propylpropanamide
CID 12680973
(4R)-4-amino-N-propylpentanamide
CID 146234117
2-(3-methylbutan-2-ylamino)-N-propylacetamide
CID 43086366
N,N'-dipropyldecanediamide
CID 102239298
3-(1-phenylpropan-2-ylamino)-N-propylpropanamide
CID 55148984
N-(3,3-difluoropropyl)butanamide
CID 147098310
2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid
CID 123367492
3-(4-methylpentylamino)-N-propylpropanamide
CID 83156372

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide?
The IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide (CID 102869439) is 3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide.
What is the SMILES notation for 3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide?
The canonical SMILES for 3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide is CCCNC(=O)CCNC(C)C(F)F.
What is the InChIKey of 3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide?
The InChIKey is DGCWCPCUBYMMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-3-5-13-8(14)4-6-12-7(2)9(10)11/h7,9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide?
3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide has a molecular weight of 208.25 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide is sourced from PubChem (CID 102869439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).