N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide

C26H26N2O7 — CID 134716963

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
SMILESCOCCNC(=O)CNC(=O)Cc1c(-c2ccc3cc(OC)ccc3c2)oc2cc(C)oc(=O)c12
InChIInChI=1S/C26H26N2O7/c1-15-10-21-24(26(31)34-15)20(13-22(29)28-14-23(30)27-8-9-32-2)25(35-21)18-5-4-17-12-19(33-3)7-6-16(17)11-18/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyRUKQLOWKCXPVIB-UHFFFAOYSA-N
MW478.50 g/mol
LogP2.94
Rot. Bonds9

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide (PubChem CID 134716963) has the molecular formula C26H26N2O7 and a molecular weight of 478.50 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
PubChem CID134716963
Molecular FormulaC26H26N2O7
Molecular Weight478.50 g/mol
Exact Mass478.17
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
SMILESCOCCNC(=O)CNC(=O)Cc1c(-c2ccc3cc(OC)ccc3c2)oc2cc(C)oc(=O)c12
InChIInChI=1S/C26H26N2O7/c1-15-10-21-24(26(31)34-15)20(13-22(29)28-14-23(30)27-8-9-32-2)25(35-21)18-5-4-17-12-19(33-3)7-6-16(17)11-18/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyRUKQLOWKCXPVIB-UHFFFAOYSA-N
XLogP2.94
TPSA120.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
CID 134716919
2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]acetamide
CID 155486617
2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 155486625
2-[2-(4-methoxyphenyl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 154925524
N-(2-hydroxyethyl)-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide
CID 146048709
2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid
CID 155486622
N-(2-methoxyethyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide
CID 24517119
2-hydroxy-5-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577294
N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318007
2-benzo[e][1]benzofuran-1-yl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
CID 18110418
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methoxyphenyl)-4,9-dimethyl-7-oxofuro[2,3-f]chromen-3-yl]acetamide
CID 154925442

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide (CID 134716963) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide is COCCNC(=O)CNC(=O)Cc1c(-c2ccc3cc(OC)ccc3c2)oc2cc(C)oc(=O)c12.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide?
The InChIKey is RUKQLOWKCXPVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O7/c1-15-10-21-24(26(31)34-15)20(13-22(29)28-14-23(30)27-8-9-32-2)25(35-21)18-5-4-17-12-19(33-3)7-6-16(17)11-18/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide has a molecular weight of 478.50 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide is sourced from PubChem (CID 134716963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).