2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O2 — CID 103603891

IUPAC2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCCOCC1CC1)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-10(17)6-15-4-1-5-18-7-9-2-3-9/h9,15H,1-8H2,(H,16,17)
InChIKeyGROCCLKKBVCUCP-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.07
Rot. Bonds9

About 2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103603891) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103603891
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCCCOCC1CC1)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-10(17)6-15-4-1-5-18-7-9-2-3-9/h9,15H,1-8H2,(H,16,17)
InChIKeyGROCCLKKBVCUCP-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106133433
4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79532320
2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106841650
2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646688
2-(cyclopropylamino)-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 60712208
2-[3-(cyclopropylmethoxy)propylamino]-N-phenylacetamide
CID 103603851
2-[2-(cyclopropylmethoxy)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113233536
2-amino-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]acetamide
CID 60847429
N-[3-(2-methoxyethoxy)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931967
2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115325811
2-(1-aminocyclobutyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide
CID 103809951
3-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]propanoic acid
CID 43466550

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 103603891) is 2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCCCOCC1CC1)NCC(F)(F)F.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GROCCLKKBVCUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)8-16-10(17)6-15-4-1-5-18-7-9-2-3-9/h9,15H,1-8H2,(H,16,17).
What are the key properties of 2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)propylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103603891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).