2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate

C12H20F3N3O4 — CID 51094325

IUPAC2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate
SMILESCCN(CC(=O)N(C)C)C(=O)CCNC(=O)OCC(F)(F)F
InChIInChI=1S/C12H20F3N3O4/c1-4-18(7-10(20)17(2)3)9(19)5-6-16-11(21)22-8-12(13,14)15/h4-8H2,1-3H3,(H,16,21)
InChIKeyGCVXEXIREFJZEX-UHFFFAOYSA-N
MW327.30 g/mol
LogP0.60
Rot. Bonds7

About 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate

2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate (PubChem CID 51094325) has the molecular formula C12H20F3N3O4 and a molecular weight of 327.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate
PubChem CID51094325
Molecular FormulaC12H20F3N3O4
Molecular Weight327.30 g/mol
Exact Mass327.14
IUPAC Name2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate
SMILESCCN(CC(=O)N(C)C)C(=O)CCNC(=O)OCC(F)(F)F
InChIInChI=1S/C12H20F3N3O4/c1-4-18(7-10(20)17(2)3)9(19)5-6-16-11(21)22-8-12(13,14)15/h4-8H2,1-3H3,(H,16,21)
InChIKeyGCVXEXIREFJZEX-UHFFFAOYSA-N
XLogP0.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate (CID 51094325) is 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate is CCN(CC(=O)N(C)C)C(=O)CCNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate?
The InChIKey is GCVXEXIREFJZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O4/c1-4-18(7-10(20)17(2)3)9(19)5-6-16-11(21)22-8-12(13,14)15/h4-8H2,1-3H3,(H,16,21).
What are the key properties of 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate?
2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate has a molecular weight of 327.30 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-3-oxopropyl]carbamate is sourced from PubChem (CID 51094325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).