N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide

C26H27F3N2O3 — CID 3502243

IUPACN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide
SMILESCC(C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H27F3N2O3/c1-19(2)31(25(33)21-10-6-11-22(16-21)26(27,28)29)18-24(32)30(17-23-12-7-15-34-23)14-13-20-8-4-3-5-9-20/h3-12,15-16,19H,13-14,17-18H2,1-2H3
InChIKeySJXKPZOPKLNLHV-UHFFFAOYSA-N
MW472.51 g/mol
LogP5.42
Rot. Bonds9

About N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide (PubChem CID 3502243) has the molecular formula C26H27F3N2O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide
PubChem CID3502243
Molecular FormulaC26H27F3N2O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide
SMILESCC(C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H27F3N2O3/c1-19(2)31(25(33)21-10-6-11-22(16-21)26(27,28)29)18-24(32)30(17-23-12-7-15-34-23)14-13-20-8-4-3-5-9-20/h3-12,15-16,19H,13-14,17-18H2,1-2H3
InChIKeySJXKPZOPKLNLHV-UHFFFAOYSA-N
XLogP5.42
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.51
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 4535974
2-[ethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3303981
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3886469
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42772862
3-bromo-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3572211
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpentanamide
CID 3907966
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide
CID 3690061
N-butan-2-yl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 5041792
N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 5123105
2-[acetyl-[(2S)-butan-2-yl]amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 7416543
ethyl 4-[[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylamino]-4-oxobutanoate
CID 3661314
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 3597779

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide (CID 3502243) is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide is CC(C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide?
The InChIKey is SJXKPZOPKLNLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O3/c1-19(2)31(25(33)21-10-6-11-22(16-21)26(27,28)29)18-24(32)30(17-23-12-7-15-34-23)14-13-20-8-4-3-5-9-20/h3-12,15-16,19H,13-14,17-18H2,1-2H3.
What are the key properties of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide?
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide has a molecular weight of 472.51 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3502243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).