N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide

C26H32N2O6 — CID 84572834

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
SMILESCCOc1ccc(CCNC(=O)COCC(C)(C)N2C(=O)c3ccccc3C2=O)cc1OCC
InChIInChI=1S/C26H32N2O6/c1-5-33-21-12-11-18(15-22(21)34-6-2)13-14-27-23(29)16-32-17-26(3,4)28-24(30)19-9-7-8-10-20(19)25(28)31/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H,27,29)
InChIKeyOROUWGGZXQWXTA-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.23
Rot. Bonds12

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide (PubChem CID 84572834) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
PubChem CID84572834
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
SMILESCCOc1ccc(CCNC(=O)COCC(C)(C)N2C(=O)c3ccccc3C2=O)cc1OCC
InChIInChI=1S/C26H32N2O6/c1-5-33-21-12-11-18(15-22(21)34-6-2)13-14-27-23(29)16-32-17-26(3,4)28-24(30)19-9-7-8-10-20(19)25(28)31/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H,27,29)
InChIKeyOROUWGGZXQWXTA-UHFFFAOYSA-N
XLogP3.23
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(2-ethoxyphenyl)acetamide
CID 84572610
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7758203
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 7919539
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46612313
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9473964
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 26120183
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8717630
2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 9474002
N-(2,5-dimethoxyphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572626
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522546

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide (CID 84572834) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide is CCOc1ccc(CCNC(=O)COCC(C)(C)N2C(=O)c3ccccc3C2=O)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
The InChIKey is OROUWGGZXQWXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6/c1-5-33-21-12-11-18(15-22(21)34-6-2)13-14-27-23(29)16-32-17-26(3,4)28-24(30)19-9-7-8-10-20(19)25(28)31/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H,27,29).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide has a molecular weight of 468.55 g/mol, XLogP of 3.23, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide is sourced from PubChem (CID 84572834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).