2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide

C12H22F3N3O3 — CID 81071337

IUPAC2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCOCCCC(N)C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O3/c1-17(2)10(19)7-18(8-12(13,14)15)11(20)9(16)5-4-6-21-3/h9H,4-8,16H2,1-3H3
InChIKeyGNKUPTSOINONEY-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.22
Rot. Bonds8

About 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide

2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 81071337) has the molecular formula C12H22F3N3O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID81071337
Molecular FormulaC12H22F3N3O3
Molecular Weight313.32 g/mol
Exact Mass313.16
IUPAC Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCOCCCC(N)C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O3/c1-17(2)10(19)7-18(8-12(13,14)15)11(20)9(16)5-4-6-21-3/h9H,4-8,16H2,1-3H3
InChIKeyGNKUPTSOINONEY-UHFFFAOYSA-N
XLogP0.22
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide (CID 81071337) is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide is COCCCC(N)C(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is GNKUPTSOINONEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O3/c1-17(2)10(19)7-18(8-12(13,14)15)11(20)9(16)5-4-6-21-3/h9H,4-8,16H2,1-3H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide?
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 313.32 g/mol, XLogP of 0.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methoxy-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 81071337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).