N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane

C16H30F3N3O4 — CID 177356846

IUPACN-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane
SMILESC/C=C\C.CC.CC(=O)NCOCCN(CC(N)=O)C(=O)CC(F)(F)F
InChIInChI=1S/C10H16F3N3O4.C4H8.C2H6/c1-7(17)15-6-20-3-2-16(5-8(14)18)9(19)4-10(11,12)13;1-3-4-2;1-2/h2-6H2,1H3,(H2,14,18)(H,15,17);3-4H,1-2H3;1-2H3/b;4-3-;
InChIKeyFPRBLESZACKNPL-LWFKIUJUSA-N
MW385.43 g/mol
LogP1.97
Rot. Bonds8

About N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane

N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane (PubChem CID 177356846) has the molecular formula C16H30F3N3O4 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane.

Molecular Properties

Compound NameN-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane
PubChem CID177356846
Molecular FormulaC16H30F3N3O4
Molecular Weight385.43 g/mol
Exact Mass385.22
IUPAC NameN-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane
SMILESC/C=C\C.CC.CC(=O)NCOCCN(CC(N)=O)C(=O)CC(F)(F)F
InChIInChI=1S/C10H16F3N3O4.C4H8.C2H6/c1-7(17)15-6-20-3-2-16(5-8(14)18)9(19)4-10(11,12)13;1-3-4-2;1-2/h2-6H2,1H3,(H2,14,18)(H,15,17);3-4H,1-2H3;1-2H3/b;4-3-;
InChIKeyFPRBLESZACKNPL-LWFKIUJUSA-N
XLogP1.97
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
CID 60734457
2-[2-(2,2-difluoroethoxy)ethylamino]-N-prop-2-enylpropanamide
CID 103080635
N-(2-methoxyethyl)-N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 113804046
2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119748923
2-(2-methoxyethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)acetamide
CID 119748924
N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide
CID 177356847

Frequently Asked Questions

What is the IUPAC name of N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane?
The IUPAC name of N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane (CID 177356846) is N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane.
What is the SMILES notation for N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane?
The canonical SMILES for N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane is C/C=C\C.CC.CC(=O)NCOCCN(CC(N)=O)C(=O)CC(F)(F)F.
What is the InChIKey of N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane?
The InChIKey is FPRBLESZACKNPL-LWFKIUJUSA-N. The full InChI is InChI=1S/C10H16F3N3O4.C4H8.C2H6/c1-7(17)15-6-20-3-2-16(5-8(14)18)9(19)4-10(11,12)13;1-3-4-2;1-2/h2-6H2,1H3,(H2,14,18)(H,15,17);3-4H,1-2H3;1-2H3/b;4-3-;.
What are the key properties of N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane?
N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane has a molecular weight of 385.43 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide;(Z)-but-2-ene;ethane is sourced from PubChem (CID 177356846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).