5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C24H29F3N2O3 — CID 1454984

IUPAC5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H29F3N2O3/c1-15-12-19(23(2,3)4)32-21(15)22(31)29(14-20(30)28-17-9-5-6-10-17)18-11-7-8-16(13-18)24(25,26)27/h7-8,11-13,17H,5-6,9-10,14H2,1-4H3,(H,28,30)
InChIKeyAZYMDZVQBIJHJG-UHFFFAOYSA-N
MW450.50 g/mol
LogP5.61
Rot. Bonds5

About 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 1454984) has the molecular formula C24H29F3N2O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID1454984
Molecular FormulaC24H29F3N2O3
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC Name5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H29F3N2O3/c1-15-12-19(23(2,3)4)32-21(15)22(31)29(14-20(30)28-17-9-5-6-10-17)18-11-7-8-16(13-18)24(25,26)27/h7-8,11-13,17H,5-6,9-10,14H2,1-4H3,(H,28,30)
InChIKeyAZYMDZVQBIJHJG-UHFFFAOYSA-N
XLogP5.61
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 87741167
N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
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CID 109031498
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CID 42395092
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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 1454984) is 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is AZYMDZVQBIJHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O3/c1-15-12-19(23(2,3)4)32-21(15)22(31)29(14-20(30)28-17-9-5-6-10-17)18-11-7-8-16(13-18)24(25,26)27/h7-8,11-13,17H,5-6,9-10,14H2,1-4H3,(H,28,30).
What are the key properties of 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(cyclopentylamino)-2-oxoethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1454984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).