2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide

C9H18F2N4O2 — CID 107494561

IUPAC2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(CCN)CC(F)F
InChIInChI=1S/C9H18F2N4O2/c1-6(8(16)14-9(17)13-2)15(4-3-12)5-7(10)11/h6-7H,3-5,12H2,1-2H3,(H2,13,14,16,17)
InChIKeyKDGHMSAZYFSBDA-UHFFFAOYSA-N
MW252.26 g/mol
LogP-0.64
Rot. Bonds6

About 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide

2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide (PubChem CID 107494561) has the molecular formula C9H18F2N4O2 and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide
PubChem CID107494561
Molecular FormulaC9H18F2N4O2
Molecular Weight252.26 g/mol
Exact Mass252.14
IUPAC Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(CCN)CC(F)F
InChIInChI=1S/C9H18F2N4O2/c1-6(8(16)14-9(17)13-2)15(4-3-12)5-7(10)11/h6-7H,3-5,12H2,1-2H3,(H2,13,14,16,17)
InChIKeyKDGHMSAZYFSBDA-UHFFFAOYSA-N
XLogP-0.64
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide
CID 107494446
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide
CID 107494530
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
CID 107494579
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-phenylpropanamide
CID 107494405
2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 60685692
(2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 122467125
2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
CID 61349368
2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide
CID 63761733
3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 60987240
methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 62011390
2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide
CID 43459973
2-[3-aminopropyl(ethyl)amino]-N-(ethylcarbamoyl)propanamide
CID 43137250

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide (CID 107494561) is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N(CCN)CC(F)F.
What is the InChIKey of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is KDGHMSAZYFSBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N4O2/c1-6(8(16)14-9(17)13-2)15(4-3-12)5-7(10)11/h6-7H,3-5,12H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide?
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 252.26 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 107494561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).