2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2O2 — CID 54874862

IUPAC2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1CC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-15(3-4-16)9(17)6-14-5-8-1-2-8/h8,14,16H,1-7H2
InChIKeyQXRUBTFYHQDGTO-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.37
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54874862) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54874862
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC1CC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-15(3-4-16)9(17)6-14-5-8-1-2-8/h8,14,16H,1-7H2
InChIKeyQXRUBTFYHQDGTO-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 54874862) is 2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCC1CC1)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QXRUBTFYHQDGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)7-15(3-4-16)9(17)6-14-5-8-1-2-8/h8,14,16H,1-7H2.
What are the key properties of 2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54874862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).