2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide

C25H28N4O3 — CID 78862673

IUPAC2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide
SMILESO=C(CN(CC(=O)N1CCc2ccccc21)CC(=O)N1CCc2ccccc21)NC1CC1
InChIInChI=1S/C25H28N4O3/c30-23(26-20-9-10-20)15-27(16-24(31)28-13-11-18-5-1-3-7-21(18)28)17-25(32)29-14-12-19-6-2-4-8-22(19)29/h1-8,20H,9-17H2,(H,26,30)
InChIKeyBDNLLABUQVYFQC-UHFFFAOYSA-N
MW432.52 g/mol
LogP1.75
Rot. Bonds7

About 2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide

2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide (PubChem CID 78862673) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide
PubChem CID78862673
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide
SMILESO=C(CN(CC(=O)N1CCc2ccccc21)CC(=O)N1CCc2ccccc21)NC1CC1
InChIInChI=1S/C25H28N4O3/c30-23(26-20-9-10-20)15-27(16-24(31)28-13-11-18-5-1-3-7-21(18)28)17-25(32)29-14-12-19-6-2-4-8-22(19)29/h1-8,20H,9-17H2,(H,26,30)
InChIKeyBDNLLABUQVYFQC-UHFFFAOYSA-N
XLogP1.75
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 9053395
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
2-(cyclopropylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 60648595
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide
CID 110984904
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432875
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 111858977
2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 119116488
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide (CID 78862673) is 2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide is O=C(CN(CC(=O)N1CCc2ccccc21)CC(=O)N1CCc2ccccc21)NC1CC1.
What is the InChIKey of 2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide?
The InChIKey is BDNLLABUQVYFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c30-23(26-20-9-10-20)15-27(16-24(31)28-13-11-18-5-1-3-7-21(18)28)17-25(32)29-14-12-19-6-2-4-8-22(19)29/h1-8,20H,9-17H2,(H,26,30).
What are the key properties of 2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide?
2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide has a molecular weight of 432.52 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 78862673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).