5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide

C15H29F3N4O2 — CID 155183483

IUPAC5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide
SMILESCCN(C)C(CCC(C)NC(=O)C(N)C(F)(F)F)C(=O)NC(C)C
InChIInChI=1S/C15H29F3N4O2/c1-6-22(5)11(13(23)20-9(2)3)8-7-10(4)21-14(24)12(19)15(16,17)18/h9-12H,6-8,19H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyBKDKPVQVZFSSFS-UHFFFAOYSA-N
MW354.42 g/mol
LogP1.01
Rot. Bonds9

About 5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide

5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide (PubChem CID 155183483) has the molecular formula C15H29F3N4O2 and a molecular weight of 354.42 g/mol. Its IUPAC name is 5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide
PubChem CID155183483
Molecular FormulaC15H29F3N4O2
Molecular Weight354.42 g/mol
Exact Mass354.22
IUPAC Name5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide
SMILESCCN(C)C(CCC(C)NC(=O)C(N)C(F)(F)F)C(=O)NC(C)C
InChIInChI=1S/C15H29F3N4O2/c1-6-22(5)11(13(23)20-9(2)3)8-7-10(4)21-14(24)12(19)15(16,17)18/h9-12H,6-8,19H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyBKDKPVQVZFSSFS-UHFFFAOYSA-N
XLogP1.01
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide?
The IUPAC name of 5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide (CID 155183483) is 5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide.
What is the SMILES notation for 5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide?
The canonical SMILES for 5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide is CCN(C)C(CCC(C)NC(=O)C(N)C(F)(F)F)C(=O)NC(C)C.
What is the InChIKey of 5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide?
The InChIKey is BKDKPVQVZFSSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N4O2/c1-6-22(5)11(13(23)20-9(2)3)8-7-10(4)21-14(24)12(19)15(16,17)18/h9-12H,6-8,19H2,1-5H3,(H,20,23)(H,21,24).
What are the key properties of 5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide?
5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide has a molecular weight of 354.42 g/mol, XLogP of 1.01, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-3,3,3-trifluoropropanoyl)amino]-2-[ethyl(methyl)amino]-N-propan-2-ylhexanamide is sourced from PubChem (CID 155183483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).