2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

C10H16F3N3O2 — CID 115574953

IUPAC2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC(=O)NC1CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-6(9(18)15-5-10(11,12)13)14-4-8(17)16-7-2-3-7/h6-7,14H,2-5H2,1H3,(H,15,18)(H,16,17)
InChIKeyNYHXJJOQKKKSMN-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.08
Rot. Bonds6

About 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115574953) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115574953
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC(=O)NC1CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-6(9(18)15-5-10(11,12)13)14-4-8(17)16-7-2-3-7/h6-7,14H,2-5H2,1H3,(H,15,18)(H,16,17)
InChIKeyNYHXJJOQKKKSMN-UHFFFAOYSA-N
XLogP-0.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574936
2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115598401
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide
CID 43420338
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81388594
2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713799
2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81393575
N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide
CID 112623674
2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 60718312
2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571393
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-oxo-3-(2,2,2-trifluoroethylamino)propanoate
CID 97347699

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115574953) is 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC(=O)NC1CC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is NYHXJJOQKKKSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-6(9(18)15-5-10(11,12)13)14-4-8(17)16-7-2-3-7/h6-7,14H,2-5H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 267.25 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115574953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).