N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide

C22H35N3O9 — CID 58253076

IUPACN-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide
SMILESCOCCOCCN(CC(=O)NCCCC(=O)CCN1C(=O)C=CC1=O)C(=O)COCCOC
InChIInChI=1S/C22H35N3O9/c1-31-12-14-33-11-10-24(22(30)17-34-15-13-32-2)16-19(27)23-8-3-4-18(26)7-9-25-20(28)5-6-21(25)29/h5-6H,3-4,7-17H2,1-2H3,(H,23,27)
InChIKeyKMFKNOCBESSEMU-UHFFFAOYSA-N
MW485.53 g/mol
LogP-1.08
Rot. Bonds20

About N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide

N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide (PubChem CID 58253076) has the molecular formula C22H35N3O9 and a molecular weight of 485.53 g/mol. Its IUPAC name is N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide
PubChem CID58253076
Molecular FormulaC22H35N3O9
Molecular Weight485.53 g/mol
Exact Mass485.24
IUPAC NameN-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide
SMILESCOCCOCCN(CC(=O)NCCCC(=O)CCN1C(=O)C=CC1=O)C(=O)COCCOC
InChIInChI=1S/C22H35N3O9/c1-31-12-14-33-11-10-24(22(30)17-34-15-13-32-2)16-19(27)23-8-3-4-18(26)7-9-25-20(28)5-6-21(25)29/h5-6H,3-4,7-17H2,1-2H3,(H,23,27)
InChIKeyKMFKNOCBESSEMU-UHFFFAOYSA-N
XLogP-1.08
TPSA140.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-[2-[2-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide
CID 20710719
N',N'-bis[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide
CID 21059338
4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]ethoxy]ethyl]butanamide
CID 58340915
3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethyl]propanamide
CID 59450641
N'-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N'-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide
CID 71096565
(2S)-N-[2-[2-[2-[[(5S)-6-[[(2S)-1-amino-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-1-oxopropan-2-yl]amino]-5-[[2-[2-[2-[[(2S)-2,6-bis[[2-[2-[2-[3-(butanoylamino)propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]ethoxy]ethoxy]acetyl]amino]-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]-2,6-bis[[2-[2-[2-[3-(butanoylamino)propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanamide
CID 91430093
(2S)-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-2-[[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]acetyl]amino]-3-methylbutanamide
CID 121313364
2-methoxyethyl N-[2-[2-[2-[[5-(2,5-dioxopyrrol-1-yl)-2-oxopentyl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 126558194
6-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-(1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaoxa-40-azacyclodotetracont-40-yl)ethyl]hexanamide
CID 132023074
3-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetyl]amino]ethyl]propanamide
CID 135251971
4-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-ethoxypropanoylamino)ethoxy]ethoxy]ethyl]butanamide
CID 139525350
6-[[2-[2-[6-(2,5-Dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide
CID 149516617

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide?
The IUPAC name of N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide (CID 58253076) is N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide.
What is the SMILES notation for N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide?
The canonical SMILES for N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide is COCCOCCN(CC(=O)NCCCC(=O)CCN1C(=O)C=CC1=O)C(=O)COCCOC.
What is the InChIKey of N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide?
The InChIKey is KMFKNOCBESSEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O9/c1-31-12-14-33-11-10-24(22(30)17-34-15-13-32-2)16-19(27)23-8-3-4-18(26)7-9-25-20(28)5-6-21(25)29/h5-6H,3-4,7-17H2,1-2H3,(H,23,27).
What are the key properties of N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide?
N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide has a molecular weight of 485.53 g/mol, XLogP of -1.08, 20 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-2-[[2-(2-methoxyethoxy)acetyl]-[2-(2-methoxyethoxy)ethyl]amino]acetamide is sourced from PubChem (CID 58253076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).