N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide

C24H36N4O6 — CID 167048898

IUPACN-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCCCCCCNc1cccc(C=O)c1C(O)NC1CCC(=O)NC1=O
InChIInChI=1S/C24H36N4O6/c1-34-16-21(31)26-14-7-5-3-2-4-6-13-25-18-10-8-9-17(15-29)22(18)24(33)27-19-11-12-20(30)28-23(19)32/h8-10,15,19,24-25,27,33H,2-7,11-14,16H2,1H3,(H,26,31)(H,28,30,32)
InChIKeyFVVGPZCTWATVEX-UHFFFAOYSA-N
MW476.57 g/mol
LogP1.40
Rot. Bonds16

About N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide

N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide (PubChem CID 167048898) has the molecular formula C24H36N4O6 and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide
PubChem CID167048898
Molecular FormulaC24H36N4O6
Molecular Weight476.57 g/mol
Exact Mass476.26
IUPAC NameN-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCCCCCCCNc1cccc(C=O)c1C(O)NC1CCC(=O)NC1=O
InChIInChI=1S/C24H36N4O6/c1-34-16-21(31)26-14-7-5-3-2-4-6-13-25-18-10-8-9-17(15-29)22(18)24(33)27-19-11-12-20(30)28-23(19)32/h8-10,15,19,24-25,27,33H,2-7,11-14,16H2,1H3,(H,26,31)(H,28,30,32)
InChIKeyFVVGPZCTWATVEX-UHFFFAOYSA-N
XLogP1.40
TPSA145.86 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 51.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide with MolForge

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Related Compounds

N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-propan-2-yloxyacetamide
CID 134511290
3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
CID 121448796
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol
CID 154690124
2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]benzaldehyde
CID 131999638
2-hydroxy-3-(propan-2-ylamino)benzaldehyde;3-(methylamino)piperidine-2,6-dione
CID 177365985
tert-butyl N-[6-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]hexyl]carbamate
CID 163320884
3-[1-(2,6-dihydroxyphenyl)ethylamino]piperidine-2,6-dione
CID 107711048
5-(5-aminopentylamino)-N-(2,6-dioxopiperidin-3-yl)-2-formylbenzamide
CID 162486117
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[8-(2-methoxyethylamino)octyl]acetamide
CID 135177213
N-[5-[[6-(2,6-dioxopiperidin-3-yl)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]amino]pentyl]-3-(1-methylcyclobutyl)propanamide
CID 155036974
N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-10-oxoundecyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 147975273
5-(2,3-diacetylanilino)pentanoic acid;3-propan-2-ylpiperidine-2,6-dione
CID 156886615

Frequently Asked Questions

What is the IUPAC name of N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide?
The IUPAC name of N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide (CID 167048898) is N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide.
What is the SMILES notation for N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide?
The canonical SMILES for N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide is COCC(=O)NCCCCCCCCNc1cccc(C=O)c1C(O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide?
The InChIKey is FVVGPZCTWATVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O6/c1-34-16-21(31)26-14-7-5-3-2-4-6-13-25-18-10-8-9-17(15-29)22(18)24(33)27-19-11-12-20(30)28-23(19)32/h8-10,15,19,24-25,27,33H,2-7,11-14,16H2,1H3,(H,26,31)(H,28,30,32).
What are the key properties of N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide?
N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide has a molecular weight of 476.57 g/mol, XLogP of 1.40, 16 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[2-[[(2,6-dioxopiperidin-3-yl)amino]-hydroxymethyl]-3-formylanilino]octyl]-2-methoxyacetamide is sourced from PubChem (CID 167048898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).