N-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide

C26H20N2O7 — CID 163236912

IUPACN-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide
SMILESO=C(NC1CC1)C1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)C(C(=O)NC3CC3)C4=O)cc2C1=O
InChIInChI=1S/C26H20N2O7/c29-21-15-7-5-13(9-17(15)23(31)19(21)25(33)27-11-1-2-11)35-14-6-8-16-18(10-14)24(32)20(22(16)30)26(34)28-12-3-4-12/h5-12,19-20H,1-4H2,(H,27,33)(H,28,34)
InChIKeyIIRLJFYXWXLJAK-UHFFFAOYSA-N
MW472.45 g/mol
LogP2.03
Rot. Bonds6

About N-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide

N-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide (PubChem CID 163236912) has the molecular formula C26H20N2O7 and a molecular weight of 472.45 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide
PubChem CID163236912
Molecular FormulaC26H20N2O7
Molecular Weight472.45 g/mol
Exact Mass472.13
IUPAC NameN-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide
SMILESO=C(NC1CC1)C1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)C(C(=O)NC3CC3)C4=O)cc2C1=O
InChIInChI=1S/C26H20N2O7/c29-21-15-7-5-13(9-17(15)23(31)19(21)25(33)27-11-1-2-11)35-14-6-8-16-18(10-14)24(32)20(22(16)30)26(34)28-12-3-4-12/h5-12,19-20H,1-4H2,(H,27,33)(H,28,34)
InChIKeyIIRLJFYXWXLJAK-UHFFFAOYSA-N
XLogP2.03
TPSA135.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide
CID 177259696
N-(1,1-dioxothiolan-3-yl)-5-[2-[(1,1-dioxothiolan-3-yl)carbamoyl]-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide
CID 177259699
2-(cyclopentanecarbonyl)-5-[2-(cyclopentanecarbonyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione;2-(2-methoxyacetyl)-5-[2-(2-methoxyacetyl)-1,3-dioxoinden-5-yl]oxyindene-1,3-dione
CID 163236464
5-(2-cyano-1,3-dioxoinden-5-yl)oxy-1,3-dioxoindene-2-carbonitrile
CID 177259700
2-[2-(4-methylsulfonylphenyl)acetyl]-5-[2-[2-(4-methylsulfonylphenyl)acetyl]-1,3-dioxoinden-5-yl]oxyindene-1,3-dione
CID 177259712
2-benzoyl-5-methoxyindene-1,3-dione
CID 122369760
N-cyclopentyl-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 104982186
2-[(2S)-azetidine-2-carbonyl]-5-[2-[(2S)-azetidine-2-carbonyl]-1,3-dioxoindene-5-carbonyl]indene-1,3-dione
CID 163236534
5-[4-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]benzoyl]phenoxy]-2-benzofuran-1,3-dione
CID 10874832
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide
CID 9352215
(5-methoxy-1,3-dioxoinden-2-yl) acetate
CID 139638210

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide (CID 163236912) is N-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide is O=C(NC1CC1)C1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)C(C(=O)NC3CC3)C4=O)cc2C1=O.
What is the InChIKey of N-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide?
The InChIKey is IIRLJFYXWXLJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O7/c29-21-15-7-5-13(9-17(15)23(31)19(21)25(33)27-11-1-2-11)35-14-6-8-16-18(10-14)24(32)20(22(16)30)26(34)28-12-3-4-12/h5-12,19-20H,1-4H2,(H,27,33)(H,28,34).
What are the key properties of N-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide?
N-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide has a molecular weight of 472.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide is sourced from PubChem (CID 163236912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).