2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide

C29H32F3N3O3 — CID 118722749

IUPAC2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)c(C2CC2)o1
InChIInChI=1S/C29H32F3N3O3/c1-18-15-24(26(38-18)21-11-12-21)27(36)34-25(28(37)33-13-14-35(2)3)16-19-7-9-20(10-8-19)22-5-4-6-23(17-22)29(30,31)32/h4-10,15,17,21,25H,11-14,16H2,1-3H3,(H,33,37)(H,34,36)
InChIKeyPKJCNVBPDXZMDO-UHFFFAOYSA-N
MW527.59 g/mol
LogP5.17
Rot. Bonds10

About 2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide

2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide (PubChem CID 118722749) has the molecular formula C29H32F3N3O3 and a molecular weight of 527.59 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide
PubChem CID118722749
Molecular FormulaC29H32F3N3O3
Molecular Weight527.59 g/mol
Exact Mass527.24
IUPAC Name2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)c(C2CC2)o1
InChIInChI=1S/C29H32F3N3O3/c1-18-15-24(26(38-18)21-11-12-21)27(36)34-25(28(37)33-13-14-35(2)3)16-19-7-9-20(10-8-19)22-5-4-6-23(17-22)29(30,31)32/h4-10,15,17,21,25H,11-14,16H2,1-3H3,(H,33,37)(H,34,36)
InChIKeyPKJCNVBPDXZMDO-UHFFFAOYSA-N
XLogP5.17
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide (CID 118722749) is 2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C(=O)NCCN(C)C)c(C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide?
The InChIKey is PKJCNVBPDXZMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N3O3/c1-18-15-24(26(38-18)21-11-12-21)27(36)34-25(28(37)33-13-14-35(2)3)16-19-7-9-20(10-8-19)22-5-4-6-23(17-22)29(30,31)32/h4-10,15,17,21,25H,11-14,16H2,1-3H3,(H,33,37)(H,34,36).
What are the key properties of 2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide?
2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide has a molecular weight of 527.59 g/mol, XLogP of 5.17, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 118722749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).