N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride

C9H17ClF3N3O3 — CID 156792788

IUPACN-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride
SMILESCl.NCCOCCNC(=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3N3O3.ClH/c10-9(11,12)8(17)15-3-1-7(16)14-4-6-18-5-2-13;/h1-6,13H2,(H,14,16)(H,15,17);1H
InChIKeyMEPMPXJEPJNZRS-UHFFFAOYSA-N
MW307.70 g/mol
LogP-0.43
Rot. Bonds8

About N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride

N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride (PubChem CID 156792788) has the molecular formula C9H17ClF3N3O3 and a molecular weight of 307.70 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride
PubChem CID156792788
Molecular FormulaC9H17ClF3N3O3
Molecular Weight307.70 g/mol
Exact Mass307.09
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride
SMILESCl.NCCOCCNC(=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3N3O3.ClH/c10-9(11,12)8(17)15-3-1-7(16)14-4-6-18-5-2-13;/h1-6,13H2,(H,14,16)(H,15,17);1H
InChIKeyMEPMPXJEPJNZRS-UHFFFAOYSA-N
XLogP-0.43
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.70
LogP ≤ 5-0.43
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]propanamide;2,2,2-trifluoroacetamide;hydrochloride
CID 156501444
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
CID 106308033
N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid
CID 154803622
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63828602
2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl carbamate
CID 175081117
2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 86639757
N'-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethyl]-N-[3-oxo-3-(prop-2-ynylamino)propyl]butanediamide
CID 168787195
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-[2-(2-aminoethoxy)ethylamino]-3-oxopropoxy]-2-[[3-[2-(2-aminoethoxy)ethylamino]-3-oxopropoxy]methyl]propan-2-yl]propanamide
CID 166997918

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride (CID 156792788) is N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride is Cl.NCCOCCNC(=O)CCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride?
The InChIKey is MEPMPXJEPJNZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3.ClH/c10-9(11,12)8(17)15-3-1-7(16)14-4-6-18-5-2-13;/h1-6,13H2,(H,14,16)(H,15,17);1H.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride?
N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride has a molecular weight of 307.70 g/mol, XLogP of -0.43, 8 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]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 156792788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).