N-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

C13H21F3N2O — CID 54870023

IUPACN-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CNCC1CC1
InChIInChI=1S/C13H21F3N2O/c1-9(11-4-5-11)18(8-13(14,15)16)12(19)7-17-6-10-2-3-10/h9-11,17H,2-8H2,1H3
InChIKeyXXXQCGOIIBZXAT-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.18
Rot. Bonds7

About N-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide

N-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54870023) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54870023
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CNCC1CC1
InChIInChI=1S/C13H21F3N2O/c1-9(11-4-5-11)18(8-13(14,15)16)12(19)7-17-6-10-2-3-10/h9-11,17H,2-8H2,1H3
InChIKeyXXXQCGOIIBZXAT-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 51077908
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-propan-2-ylacetamide
CID 51079480
2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide
CID 51077611
(2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237697
N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 136531532
2-[(2,2-difluoro-3-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 143058237
2-cyclopropyl-2-[2-[[2-(2,2-difluorocyclopropyl)acetyl]amino]propylamino]-N-propan-2-ylacetamide
CID 146513117
2-[4-(difluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 153467731
N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane
CID 156643929
N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane
CID 156643967
N-[2-(1-cyclopropylpropan-2-ylamino)-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide
CID 169965412
N-[2-(1-cyclopropylpropan-2-ylamino)-2-oxoethyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 169965416

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 54870023) is N-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is CC(C1CC1)N(CC(F)(F)F)C(=O)CNCC1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XXXQCGOIIBZXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-9(11-4-5-11)18(8-13(14,15)16)12(19)7-17-6-10-2-3-10/h9-11,17H,2-8H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide?
N-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 278.32 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(cyclopropylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54870023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).