N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C13H21F3N2O2 — CID 106608175

IUPACN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-20-8-12(19)18(6-10-3-4-10)7-11-2-1-5-17-11/h10-11,17H,1-9H2
InChIKeyMLNLEWFWBFAGGT-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.56
Rot. Bonds7

About N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 106608175) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID106608175
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-20-8-12(19)18(6-10-3-4-10)7-11-2-1-5-17-11/h10-11,17H,1-9H2
InChIKeyMLNLEWFWBFAGGT-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106610292
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106612458
2-cycloheptyl-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608336
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608292
N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209753
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608303
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608735
N-methyl-N-piperidin-3-yl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206366
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106616413
(2S)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)oxolane-2-carboxamide
CID 106608286
N-(cyclopropylmethyl)-1-ethyl-N-(pyrrolidin-2-ylmethyl)cyclopentane-1-carboxamide
CID 106608662
N-(cyclopropylmethyl)-2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608618

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 106608175) is N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)N(CC1CC1)CC1CCCN1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is MLNLEWFWBFAGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)9-20-8-12(19)18(6-10-3-4-10)7-11-2-1-5-17-11/h10-11,17H,1-9H2.
What are the key properties of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 294.32 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 106608175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).