methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate

C24H26N2O3 — CID 163789716

IUPACmethylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCNOC(=O)C1(NC(=O)c2cccc(C)c2C2=CCCC2)Cc2ccccc2C1
InChIInChI=1S/C24H26N2O3/c1-16-8-7-13-20(21(16)17-9-3-4-10-17)22(27)26-24(23(28)29-25-2)14-18-11-5-6-12-19(18)15-24/h5-9,11-13,25H,3-4,10,14-15H2,1-2H3,(H,26,27)
InChIKeyMVPMVHIREPCNEZ-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.51
Rot. Bonds5

About methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate

methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 163789716) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate
PubChem CID163789716
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Namemethylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate
SMILESCNOC(=O)C1(NC(=O)c2cccc(C)c2C2=CCCC2)Cc2ccccc2C1
InChIInChI=1S/C24H26N2O3/c1-16-8-7-13-20(21(16)17-9-3-4-10-17)22(27)26-24(23(28)29-25-2)14-18-11-5-6-12-19(18)15-24/h5-9,11-13,25H,3-4,10,14-15H2,1-2H3,(H,26,27)
InChIKeyMVPMVHIREPCNEZ-UHFFFAOYSA-N
XLogP3.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate (CID 163789716) is methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate is CNOC(=O)C1(NC(=O)c2cccc(C)c2C2=CCCC2)Cc2ccccc2C1.
What is the InChIKey of methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is MVPMVHIREPCNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16-8-7-13-20(21(16)17-9-3-4-10-17)22(27)26-24(23(28)29-25-2)14-18-11-5-6-12-19(18)15-24/h5-9,11-13,25H,3-4,10,14-15H2,1-2H3,(H,26,27).
What are the key properties of methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate?
methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino 2-[[2-(cyclopenten-1-yl)-3-methylbenzoyl]amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 163789716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).