N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide

C22H29N3O5 — CID 40506565

IUPACN,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOCCN(CCOC)C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C22H29N3O5/c1-29-13-11-24(12-14-30-2)22(28)21(27)18-15-25(19-8-4-3-7-17(18)19)16-20(26)23-9-5-6-10-23/h3-4,7-8,15H,5-6,9-14,16H2,1-2H3
InChIKeyNLWBDTMWFRBOAL-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.57
Rot. Bonds10

About N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide

N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 40506565) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID40506565
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC NameN,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOCCN(CCOC)C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C22H29N3O5/c1-29-13-11-24(12-14-30-2)22(28)21(27)18-15-25(19-8-4-3-7-17(18)19)16-20(26)23-9-5-6-10-23/h3-4,7-8,15H,5-6,9-14,16H2,1-2H3
InChIKeyNLWBDTMWFRBOAL-UHFFFAOYSA-N
XLogP1.57
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 40506563
N,N-diethyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7066716
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 43957368
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-benzyl-N-ethyl-2-oxoacetamide
CID 41429642
N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 41429622
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
methyl 4-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]benzoate
CID 3626932
ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate
CID 7162391
N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7162399
N-[3-(dipropylamino)propyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 41429586
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (CID 40506565) is N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is COCCN(CCOC)C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is NLWBDTMWFRBOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-29-13-11-24(12-14-30-2)22(28)21(27)18-15-25(19-8-4-3-7-17(18)19)16-20(26)23-9-5-6-10-23/h3-4,7-8,15H,5-6,9-14,16H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 415.49 g/mol, XLogP of 1.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 40506565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).