N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide

C18H33F3N2O — CID 163600258

IUPACN-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide
SMILESCC/C=C\CCCC[C@@H](CCN)[C@@H](C)N(CCC(F)(F)F)C(C)=O
InChIInChI=1S/C18H33F3N2O/c1-4-5-6-7-8-9-10-17(11-13-22)15(2)23(16(3)24)14-12-18(19,20)21/h5-6,15,17H,4,7-14,22H2,1-3H3/b6-5-/t15-,17+/m1/s1
InChIKeyGWZCPTYTHPGYFB-FHYYHZITSA-N
MW350.47 g/mol
LogP4.67
Rot. Bonds12

About N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide

N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 163600258) has the molecular formula C18H33F3N2O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound NameN-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID163600258
Molecular FormulaC18H33F3N2O
Molecular Weight350.47 g/mol
Exact Mass350.25
IUPAC NameN-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide
SMILESCC/C=C\CCCC[C@@H](CCN)[C@@H](C)N(CCC(F)(F)F)C(C)=O
InChIInChI=1S/C18H33F3N2O/c1-4-5-6-7-8-9-10-17(11-13-22)15(2)23(16(3)24)14-12-18(19,20)21/h5-6,15,17H,4,7-14,22H2,1-3H3/b6-5-/t15-,17+/m1/s1
InChIKeyGWZCPTYTHPGYFB-FHYYHZITSA-N
XLogP4.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide (CID 163600258) is N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide is CC/C=C\CCCC[C@@H](CCN)[C@@H](C)N(CCC(F)(F)F)C(C)=O.
What is the InChIKey of N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is GWZCPTYTHPGYFB-FHYYHZITSA-N. The full InChI is InChI=1S/C18H33F3N2O/c1-4-5-6-7-8-9-10-17(11-13-22)15(2)23(16(3)24)14-12-18(19,20)21/h5-6,15,17H,4,7-14,22H2,1-3H3/b6-5-/t15-,17+/m1/s1.
What are the key properties of N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide?
N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 350.47 g/mol, XLogP of 4.67, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2R,3S)-3-(2-aminoethyl)undec-8-en-2-yl]-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 163600258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).