2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide

C17H24N4O3 — CID 56782639

IUPAC2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
SMILESCOCCN(C)C(=O)Nc1ccc2c(ccn2CC(=O)N(C)C)c1
InChIInChI=1S/C17H24N4O3/c1-19(2)16(22)12-21-8-7-13-11-14(5-6-15(13)21)18-17(23)20(3)9-10-24-4/h5-8,11H,9-10,12H2,1-4H3,(H,18,23)
InChIKeyITRPKZVVQSSFJZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.84
Rot. Bonds6

About 2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide

2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide (PubChem CID 56782639) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
PubChem CID56782639
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
SMILESCOCCN(C)C(=O)Nc1ccc2c(ccn2CC(=O)N(C)C)c1
InChIInChI=1S/C17H24N4O3/c1-19(2)16(22)12-21-8-7-13-11-14(5-6-15(13)21)18-17(23)20(3)9-10-24-4/h5-8,11H,9-10,12H2,1-4H3,(H,18,23)
InChIKeyITRPKZVVQSSFJZ-UHFFFAOYSA-N
XLogP1.84
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
CID 51130467
2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
CID 119235392
N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 56566381
2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
CID 43165387
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566160
2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide
CID 102912783
3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324452
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
2-[5-[[3-(difluoromethoxy)-4-methoxyphenyl]methylcarbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566383
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(1-propylindol-5-yl)urea
CID 111926333
N,N-dimethyl-2-[5-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]indol-1-yl]acetamide
CID 56566441

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide (CID 56782639) is 2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide is COCCN(C)C(=O)Nc1ccc2c(ccn2CC(=O)N(C)C)c1.
What is the InChIKey of 2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide?
The InChIKey is ITRPKZVVQSSFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-19(2)16(22)12-21-8-7-13-11-14(5-6-15(13)21)18-17(23)20(3)9-10-24-4/h5-8,11H,9-10,12H2,1-4H3,(H,18,23).
What are the key properties of 2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide?
2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide has a molecular weight of 332.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 56782639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).