N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide

C31H28N2O7 — CID 177259696

IUPACN-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide
SMILESO=C(c1ccc2c(c1)C(=O)C(C(=O)NC1CCCC1)C2=O)c1ccc2c(c1)C(=O)C(C(=O)NC1CCCC1)C2=O
InChIInChI=1S/C31H28N2O7/c34-25(15-9-11-19-21(13-15)28(37)23(26(19)35)30(39)32-17-5-1-2-6-17)16-10-12-20-22(14-16)29(38)24(27(20)36)31(40)33-18-7-3-4-8-18/h9-14,17-18,23-24H,1-8H2,(H,32,39)(H,33,40)
InChIKeyFWVAUYKGXXRHRZ-UHFFFAOYSA-N
MW540.57 g/mol
LogP3.03
Rot. Bonds6

About N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide

N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide (PubChem CID 177259696) has the molecular formula C31H28N2O7 and a molecular weight of 540.57 g/mol. Its IUPAC name is N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide
PubChem CID177259696
Molecular FormulaC31H28N2O7
Molecular Weight540.57 g/mol
Exact Mass540.19
IUPAC NameN-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide
SMILESO=C(c1ccc2c(c1)C(=O)C(C(=O)NC1CCCC1)C2=O)c1ccc2c(c1)C(=O)C(C(=O)NC1CCCC1)C2=O
InChIInChI=1S/C31H28N2O7/c34-25(15-9-11-19-21(13-15)28(37)23(26(19)35)30(39)32-17-5-1-2-6-17)16-10-12-20-22(14-16)29(38)24(27(20)36)31(40)33-18-7-3-4-8-18/h9-14,17-18,23-24H,1-8H2,(H,32,39)(H,33,40)
InChIKeyFWVAUYKGXXRHRZ-UHFFFAOYSA-N
XLogP3.03
TPSA143.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.57
LogP ≤ 53.03
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-cyclopropyl-5-[2-(cyclopropylcarbamoyl)-1,3-dioxoinden-5-yl]oxy-1,3-dioxoindene-2-carboxamide
CID 163236912
2-(cyclohexanecarbonyl)-5-[2-(cyclohexanecarbonyl)-1,3-dioxoindene-5-carbonyl]indene-1,3-dione
CID 163236581
N-cyclobutyl-5-[2-(cyclobutylcarbamoyl)-1,3-dioxoinden-5-yl]sulfonyl-1,3-dioxoindene-2-carboxamide;molecular hydrogen
CID 163236725
2-[(2S)-azetidine-2-carbonyl]-5-[2-[(2S)-azetidine-2-carbonyl]-1,3-dioxoindene-5-carbonyl]indene-1,3-dione
CID 163236534
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
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
N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide
CID 6723334
N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9213923
N-cyclopentyl-3,4-dihydroxybenzamide
CID 113199189
N-cyclopentyl-9H-fluorene-2-carboxamide
CID 39896867
4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
CID 111030194
N-cyclohexyl-9H-xanthene-9-carboxamide
CID 718107

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide (CID 177259696) is N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide is O=C(c1ccc2c(c1)C(=O)C(C(=O)NC1CCCC1)C2=O)c1ccc2c(c1)C(=O)C(C(=O)NC1CCCC1)C2=O.
What is the InChIKey of N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide?
The InChIKey is FWVAUYKGXXRHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O7/c34-25(15-9-11-19-21(13-15)28(37)23(26(19)35)30(39)32-17-5-1-2-6-17)16-10-12-20-22(14-16)29(38)24(27(20)36)31(40)33-18-7-3-4-8-18/h9-14,17-18,23-24H,1-8H2,(H,32,39)(H,33,40).
What are the key properties of N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide?
N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide has a molecular weight of 540.57 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[2-(cyclopentylcarbamoyl)-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide is sourced from PubChem (CID 177259696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).