(2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

C10H15F3N2O3 — CID 167229386

IUPAC(2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESC=CCOCCNC(=O)[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-3-5-18-6-4-14-8(16)7(2)15-9(17)10(11,12)13/h3,7H,1,4-6H2,2H3,(H,14,16)(H,15,17)/t7-/m0/s1
InChIKeySUQUKFRPXQNQAZ-ZETCQYMHSA-N
MW268.23 g/mol
LogP0.37
Rot. Bonds7

About (2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

(2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 167229386) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is (2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID167229386
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name(2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESC=CCOCCNC(=O)[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-3-5-18-6-4-14-8(16)7(2)15-9(17)10(11,12)13/h3,7H,1,4-6H2,2H3,(H,14,16)(H,15,17)/t7-/m0/s1
InChIKeySUQUKFRPXQNQAZ-ZETCQYMHSA-N
XLogP0.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of (2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 167229386) is (2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is C=CCOCCNC(=O)[C@H](C)NC(=O)C(F)(F)F.
What is the InChIKey of (2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is SUQUKFRPXQNQAZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-3-5-18-6-4-14-8(16)7(2)15-9(17)10(11,12)13/h3,7H,1,4-6H2,2H3,(H,14,16)(H,15,17)/t7-/m0/s1.
What are the key properties of (2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
(2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 268.23 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-prop-2-enoxyethyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 167229386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).