2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide

C12H23F3N4O2 — CID 21030157

IUPAC2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide
SMILESCNCC(C)N(C)C(=O)NCC(C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C12H23F3N4O2/c1-8(6-16-3)19(5)11(21)17-7-9(2)18(4)10(20)12(13,14)15/h8-9,16H,6-7H2,1-5H3,(H,17,21)
InChIKeyQBGGYBYJLBXSJV-UHFFFAOYSA-N
MW312.34 g/mol
LogP0.64
Rot. Bonds6

About 2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide

2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide (PubChem CID 21030157) has the molecular formula C12H23F3N4O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide
PubChem CID21030157
Molecular FormulaC12H23F3N4O2
Molecular Weight312.34 g/mol
Exact Mass312.18
IUPAC Name2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide
SMILESCNCC(C)N(C)C(=O)NCC(C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C12H23F3N4O2/c1-8(6-16-3)19(5)11(21)17-7-9(2)18(4)10(20)12(13,14)15/h8-9,16H,6-7H2,1-5H3,(H,17,21)
InChIKeyQBGGYBYJLBXSJV-UHFFFAOYSA-N
XLogP0.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-3-[1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea
CID 44613717
2,2,2-trifluoro-N-propan-2-yl-N-(propan-2-ylcarbamoyl)acetamide
CID 331263
2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide
CID 40165312
N-[2-[cyclohexylcarbamoyl(methyl)amino]ethyl]-2,2,2-trifluoroacetamide
CID 132454448
(3S)-3-[(2,2-difluoroacetyl)amino]-N-methylpyrrolidine-1-carboxamide
CID 57698550
(3S)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxamide
CID 57698587
N-methyl-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxamide
CID 57698626
2,2,2-trifluoro-N-[(3R)-1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 58651055
2,2,2-trifluoro-N-[1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 58651072
2,2,2-trifluoro-N-methyl-N-[(3R)-1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 58651087
N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 58651092
N-[2-[3-fluoropropyl(methylcarbamoyl)amino]ethyl]propanamide
CID 59661790

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide (CID 21030157) is 2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide is CNCC(C)N(C)C(=O)NCC(C)N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide?
The InChIKey is QBGGYBYJLBXSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4O2/c1-8(6-16-3)19(5)11(21)17-7-9(2)18(4)10(20)12(13,14)15/h8-9,16H,6-7H2,1-5H3,(H,17,21).
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide?
2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide has a molecular weight of 312.34 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide is sourced from PubChem (CID 21030157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).