N-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide

C23H31N3O4 — CID 159622570

IUPACN-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide
SMILESCCNC(=O)CCC(=O)c1cc2c(c(C(=O)CCC(=O)NCC)c1)C(C)(C)C(C)=N2
InChIInChI=1S/C23H31N3O4/c1-6-24-20(29)10-8-18(27)15-12-16(19(28)9-11-21(30)25-7-2)22-17(13-15)26-14(3)23(22,4)5/h12-13H,6-11H2,1-5H3,(H,24,29)(H,25,30)
InChIKeyPNSNFKLXGIRJJX-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.27
Rot. Bonds10

About N-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide

N-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide (PubChem CID 159622570) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide
PubChem CID159622570
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide
SMILESCCNC(=O)CCC(=O)c1cc2c(c(C(=O)CCC(=O)NCC)c1)C(C)(C)C(C)=N2
InChIInChI=1S/C23H31N3O4/c1-6-24-20(29)10-8-18(27)15-12-16(19(28)9-11-21(30)25-7-2)22-17(13-15)26-14(3)23(22,4)5/h12-13H,6-11H2,1-5H3,(H,24,29)(H,25,30)
InChIKeyPNSNFKLXGIRJJX-UHFFFAOYSA-N
XLogP3.27
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide?
The IUPAC name of N-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide (CID 159622570) is N-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide.
What is the SMILES notation for N-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide?
The canonical SMILES for N-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide is CCNC(=O)CCC(=O)c1cc2c(c(C(=O)CCC(=O)NCC)c1)C(C)(C)C(C)=N2.
What is the InChIKey of N-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide?
The InChIKey is PNSNFKLXGIRJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-6-24-20(29)10-8-18(27)15-12-16(19(28)9-11-21(30)25-7-2)22-17(13-15)26-14(3)23(22,4)5/h12-13H,6-11H2,1-5H3,(H,24,29)(H,25,30).
What are the key properties of N-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide?
N-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide has a molecular weight of 413.52 g/mol, XLogP of 3.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-[4-(ethylamino)-4-oxobutanoyl]-2,3,3-trimethylindol-6-yl]-4-oxobutanamide is sourced from PubChem (CID 159622570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).