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

C9H16F3N3O3 — CID 156530991

IUPACN-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESNCCOCCNC(=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3N3O3/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)
InChIKeyBIEKJJVJRXEYFT-UHFFFAOYSA-N
MW271.24 g/mol
LogP-0.85
Rot. Bonds8

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

N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 156530991) has the molecular formula C9H16F3N3O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID156530991
Molecular FormulaC9H16F3N3O3
Molecular Weight271.24 g/mol
Exact Mass271.11
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESNCCOCCNC(=O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3N3O3/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)
InChIKeyBIEKJJVJRXEYFT-UHFFFAOYSA-N
XLogP-0.85
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 5-0.85
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

1-Oxa-4,8-diazacycloundecan-5-one
CID 110201627
3-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methylpropanamide
CID 126783848
2,2,2-Trifluoro-N-(3-morpholin-4-yl-propyl)-acetamide
CID 3254694
3-amino-N-(1,1-difluoro-2-propan-2-yloxyethyl)propanamide
CID 57700556
2,3,3,3-tetrafluoro-N-[2-[2-[2-(2,3,3,3-tetrafluoropropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 59874137
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 60730648
N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide
CID 82354257
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
CID 142616700
N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
CID 145401045
3,3-difluoro-N-(2-methoxyethyl)propanamide
CID 145509931
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide
CID 153390661
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]propanamide
CID 155741079

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 156530991) is N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide is 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?
The InChIKey is BIEKJJVJRXEYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3/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).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide?
N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 271.24 g/mol, XLogP of -0.85, 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 is sourced from PubChem (CID 156530991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).