2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C13H22F3N3O — CID 106616413

IUPAC2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN(CC1CC1)CC1CCCN1)NCC(F)(F)F
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)9-18-12(20)8-19(6-10-3-4-10)7-11-2-1-5-17-11/h10-11,17H,1-9H2,(H,18,20)
InChIKeyRQUJSOUBCNCZLD-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.13
Rot. Bonds7

About 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106616413) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106616413
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN(CC1CC1)CC1CCCN1)NCC(F)(F)F
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)9-18-12(20)8-19(6-10-3-4-10)7-11-2-1-5-17-11/h10-11,17H,1-9H2,(H,18,20)
InChIKeyRQUJSOUBCNCZLD-UHFFFAOYSA-N
XLogP1.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106615942
N-cyclopentyl-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616532
methyl N-[2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetyl]carbamate
CID 106616317
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119737430
N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxamide
CID 60783712
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 106616264
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 106616473
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide
CID 106615127
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106616433
N-carbamoyl-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615126
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 106615509
2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106637814

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 106616413) is 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN(CC1CC1)CC1CCCN1)NCC(F)(F)F.
What is the InChIKey of 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RQUJSOUBCNCZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c14-13(15,16)9-18-12(20)8-19(6-10-3-4-10)7-11-2-1-5-17-11/h10-11,17H,1-9H2,(H,18,20).
What are the key properties of 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 293.33 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106616413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).