N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide

C24H33N3O6 — CID 158300924

IUPACN-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide
SMILESC=C1CCC(N2Cc3c(NC(=O)CCOCCOCCOCCC)cccc3C2=O)C(=O)N1
InChIInChI=1S/C24H33N3O6/c1-3-10-31-12-14-33-15-13-32-11-9-22(28)26-20-6-4-5-18-19(20)16-27(24(18)30)21-8-7-17(2)25-23(21)29/h4-6,21H,2-3,7-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyNHKIXPDSULLOBQ-UHFFFAOYSA-N
MW459.54 g/mol
LogP2.22
Rot. Bonds13

About N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide

N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide (PubChem CID 158300924) has the molecular formula C24H33N3O6 and a molecular weight of 459.54 g/mol. Its IUPAC name is N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide.

Molecular Properties

Compound NameN-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide
PubChem CID158300924
Molecular FormulaC24H33N3O6
Molecular Weight459.54 g/mol
Exact Mass459.24
IUPAC NameN-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide
SMILESC=C1CCC(N2Cc3c(NC(=O)CCOCCOCCOCCC)cccc3C2=O)C(=O)N1
InChIInChI=1S/C24H33N3O6/c1-3-10-31-12-14-33-15-13-32-11-9-22(28)26-20-6-4-5-18-19(20)16-27(24(18)30)21-8-7-17(2)25-23(21)29/h4-6,21H,2-3,7-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyNHKIXPDSULLOBQ-UHFFFAOYSA-N
XLogP2.22
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 155292318
2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-(4-methyl-3-oxopentoxy)ethylamino]-3H-isoindol-1-one
CID 170236568
3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide
CID 155292305
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-piperidin-4-yloxyethoxy)ethoxy]propanamide;hydrochloride
CID 155292685
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434
2-[2-(2-aminoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
CID 121395621
tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]-N-(2-propoxyethyl)carbamate
CID 166714911
tert-butyl N-[2-(2-aminoethoxy)ethyl]-N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162489460
tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate
CID 162489648
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
tert-butyl 3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propanoate
CID 172555990
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-nitrosoethoxy)ethylamino]propanamide
CID 156883078

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide?
The IUPAC name of N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide (CID 158300924) is N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide.
What is the SMILES notation for N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide?
The canonical SMILES for N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide is C=C1CCC(N2Cc3c(NC(=O)CCOCCOCCOCCC)cccc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide?
The InChIKey is NHKIXPDSULLOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6/c1-3-10-31-12-14-33-15-13-32-11-9-22(28)26-20-6-4-5-18-19(20)16-27(24(18)30)21-8-7-17(2)25-23(21)29/h4-6,21H,2-3,7-16H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide?
N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide has a molecular weight of 459.54 g/mol, XLogP of 2.22, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-(2-propoxyethoxy)ethoxy]propanamide is sourced from PubChem (CID 158300924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).