(2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide

C17H26F3N3O4 — CID 152662040

IUPAC(2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1OC=C[C@H](NCC(=O)C(F)(F)F)[C@H]1NC(C)=O
InChIInChI=1S/C17H26F3N3O4/c1-4-7-23(8-5-2)16(26)15-14(22-11(3)24)12(6-9-27-15)21-10-13(25)17(18,19)20/h6,9,12,14-15,21H,4-5,7-8,10H2,1-3H3,(H,22,24)/t12-,14+,15+/m0/s1
InChIKeyZJTFRDHOISEQOJ-NWANDNLSSA-N
MW393.41 g/mol
LogP1.14
Rot. Bonds9

About (2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide

(2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide (PubChem CID 152662040) has the molecular formula C17H26F3N3O4 and a molecular weight of 393.41 g/mol. Its IUPAC name is (2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide
PubChem CID152662040
Molecular FormulaC17H26F3N3O4
Molecular Weight393.41 g/mol
Exact Mass393.19
IUPAC Name(2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1OC=C[C@H](NCC(=O)C(F)(F)F)[C@H]1NC(C)=O
InChIInChI=1S/C17H26F3N3O4/c1-4-7-23(8-5-2)16(26)15-14(22-11(3)24)12(6-9-27-15)21-10-13(25)17(18,19)20/h6,9,12,14-15,21H,4-5,7-8,10H2,1-3H3,(H,22,24)/t12-,14+,15+/m0/s1
InChIKeyZJTFRDHOISEQOJ-NWANDNLSSA-N
XLogP1.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 140985242

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide?
The IUPAC name of (2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide (CID 152662040) is (2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide.
What is the SMILES notation for (2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide?
The canonical SMILES for (2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide is CCCN(CCC)C(=O)[C@@H]1OC=C[C@H](NCC(=O)C(F)(F)F)[C@H]1NC(C)=O.
What is the InChIKey of (2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide?
The InChIKey is ZJTFRDHOISEQOJ-NWANDNLSSA-N. The full InChI is InChI=1S/C17H26F3N3O4/c1-4-7-23(8-5-2)16(26)15-14(22-11(3)24)12(6-9-27-15)21-10-13(25)17(18,19)20/h6,9,12,14-15,21H,4-5,7-8,10H2,1-3H3,(H,22,24)/t12-,14+,15+/m0/s1.
What are the key properties of (2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide?
(2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-acetamido-N,N-dipropyl-4-[(3,3,3-trifluoro-2-oxopropyl)amino]-3,4-dihydro-2H-pyran-2-carboxamide is sourced from PubChem (CID 152662040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).