2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide

C23H28N4O3 — CID 51130467

IUPAC2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
SMILESCCOc1ccc(CN(C)C(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)cc1
InChIInChI=1S/C23H28N4O3/c1-5-30-20-9-6-17(7-10-20)15-26(4)23(29)24-19-8-11-21-18(14-19)12-13-27(21)16-22(28)25(2)3/h6-14H,5,15-16H2,1-4H3,(H,24,29)
InChIKeyICPQGMVENIYMQB-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.79
Rot. Bonds7

About 2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide

2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide (PubChem CID 51130467) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
PubChem CID51130467
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
SMILESCCOc1ccc(CN(C)C(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)cc1
InChIInChI=1S/C23H28N4O3/c1-5-30-20-9-6-17(7-10-20)15-26(4)23(29)24-19-8-11-21-18(14-19)12-13-27(21)16-22(28)25(2)3/h6-14H,5,15-16H2,1-4H3,(H,24,29)
InChIKeyICPQGMVENIYMQB-UHFFFAOYSA-N
XLogP3.79
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
CID 56782639
2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide
CID 102912783
N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 110830896
N,N-dimethyl-2-[5-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]indol-1-yl]acetamide
CID 56566444
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
CID 43165387
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
2-[5-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566160
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
N-cyclopropyl-2-(5-ethoxyindol-1-yl)-N-ethylacetamide
CID 116623952

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide (CID 51130467) is 2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide is CCOc1ccc(CN(C)C(=O)Nc2ccc3c(ccn3CC(=O)N(C)C)c2)cc1.
What is the InChIKey of 2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide?
The InChIKey is ICPQGMVENIYMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-5-30-20-9-6-17(7-10-20)15-26(4)23(29)24-19-8-11-21-18(14-19)12-13-27(21)16-22(28)25(2)3/h6-14H,5,15-16H2,1-4H3,(H,24,29).
What are the key properties of 2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide?
2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide has a molecular weight of 408.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(4-ethoxyphenyl)methyl-methylcarbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 51130467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).