2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

C19H25F3N2O2 — CID 78896739

IUPAC2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCC(C1CC1)N(CC(=O)NCCc1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C19H25F3N2O2/c1-13(15-4-5-15)24(16-6-7-16)12-18(25)23-11-10-14-2-8-17(9-3-14)26-19(20,21)22/h2-3,8-9,13,15-16H,4-7,10-12H2,1H3,(H,23,25)
InChIKeyJLMAVZMQDQGTLS-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.51
Rot. Bonds9

About 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 78896739) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID78896739
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCC(C1CC1)N(CC(=O)NCCc1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C19H25F3N2O2/c1-13(15-4-5-15)24(16-6-7-16)12-18(25)23-11-10-14-2-8-17(9-3-14)26-19(20,21)22/h2-3,8-9,13,15-16H,4-7,10-12H2,1H3,(H,23,25)
InChIKeyJLMAVZMQDQGTLS-UHFFFAOYSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 78896739) is 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is CC(C1CC1)N(CC(=O)NCCc1ccc(OC(F)(F)F)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is JLMAVZMQDQGTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-13(15-4-5-15)24(16-6-7-16)12-18(25)23-11-10-14-2-8-17(9-3-14)26-19(20,21)22/h2-3,8-9,13,15-16H,4-7,10-12H2,1H3,(H,23,25).
What are the key properties of 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 370.42 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 78896739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).