N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride

C9H19ClF3N3O3 — CID 156501444

IUPACN-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride
SMILESCCC(=O)NCCOCCN.Cl.NC(=O)C(F)(F)F
InChIInChI=1S/C7H16N2O2.C2H2F3NO.ClH/c1-2-7(10)9-4-6-11-5-3-8;3-2(4,5)1(6)7;/h2-6,8H2,1H3,(H,9,10);(H2,6,7);1H
InChIKeyNKGLDUCAKJNVIT-UHFFFAOYSA-N
MW309.72 g/mol
LogP-0.06
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride

N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride (PubChem CID 156501444) has the molecular formula C9H19ClF3N3O3 and a molecular weight of 309.72 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride
PubChem CID156501444
Molecular FormulaC9H19ClF3N3O3
Molecular Weight309.72 g/mol
Exact Mass309.11
IUPAC NameN-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride
SMILESCCC(=O)NCCOCCN.Cl.NC(=O)C(F)(F)F
InChIInChI=1S/C7H16N2O2.C2H2F3NO.ClH/c1-2-7(10)9-4-6-11-5-3-8;3-2(4,5)1(6)7;/h2-6,8H2,1H3,(H,9,10);(H2,6,7);1H
InChIKeyNKGLDUCAKJNVIT-UHFFFAOYSA-N
XLogP-0.06
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride
CID 156792788
N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid
CID 154803622
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
CID 139566565
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
N-[2-(2-aminoethoxy)ethyl]-2-propoxyacetamide
CID 107941598
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-ethylacetamide
CID 123400101
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4,4-dimethyl-3-oxopentanamide
CID 142404359
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
N-[2-[2-[[2-(aminomethylamino)-2-oxoethyl]amino]ethoxy]ethyl]propanamide
CID 146319756
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
CID 106308033
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
CID 154729990

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride (CID 156501444) is N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride is CCC(=O)NCCOCCN.Cl.NC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride?
The InChIKey is NKGLDUCAKJNVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.C2H2F3NO.ClH/c1-2-7(10)9-4-6-11-5-3-8;3-2(4,5)1(6)7;/h2-6,8H2,1H3,(H,9,10);(H2,6,7);1H.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride?
N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride has a molecular weight of 309.72 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]propanamide;2,2,2-trifluoroacetamide;hydrochloride is sourced from PubChem (CID 156501444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).