N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide

C18H25F3N2O3 — CID 46500688

IUPACN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide
SMILESCCCCN1C(=O)C(NC(=O)CC)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C18H25F3N2O3/c1-5-7-8-23-11-9-16(3,4)10-12(24)14(11)17(15(23)26,18(19,20)21)22-13(25)6-2/h5-10H2,1-4H3,(H,22,25)
InChIKeyYKEXBTMPSQXZQP-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.10
Rot. Bonds5

About N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide

N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide (PubChem CID 46500688) has the molecular formula C18H25F3N2O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide
PubChem CID46500688
Molecular FormulaC18H25F3N2O3
Molecular Weight374.40 g/mol
Exact Mass374.18
IUPAC NameN-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide
SMILESCCCCN1C(=O)C(NC(=O)CC)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C18H25F3N2O3/c1-5-7-8-23-11-9-16(3,4)10-12(24)14(11)17(15(23)26,18(19,20)21)22-13(25)6-2/h5-10H2,1-4H3,(H,22,25)
InChIKeyYKEXBTMPSQXZQP-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide?
The IUPAC name of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide (CID 46500688) is N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide.
What is the SMILES notation for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide?
The canonical SMILES for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide is CCCCN1C(=O)C(NC(=O)CC)(C(F)(F)F)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide?
The InChIKey is YKEXBTMPSQXZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O3/c1-5-7-8-23-11-9-16(3,4)10-12(24)14(11)17(15(23)26,18(19,20)21)22-13(25)6-2/h5-10H2,1-4H3,(H,22,25).
What are the key properties of N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide?
N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide has a molecular weight of 374.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]propanamide is sourced from PubChem (CID 46500688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).