methyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate

C19H19NO3 — CID 66700484

IUPACmethyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(NC(=O)c1ccccc1C)CC2
InChIInChI=1S/C19H19NO3/c1-12-5-3-4-6-15(12)18(21)20-17-10-9-13-7-8-14(11-16(13)17)19(22)23-2/h3-8,11,17H,9-10H2,1-2H3,(H,20,21)
InChIKeyCRDLHQNHUYIUPH-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.20
Rot. Bonds3

About methyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate

methyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 66700484) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID66700484
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(NC(=O)c1ccccc1C)CC2
InChIInChI=1S/C19H19NO3/c1-12-5-3-4-6-15(12)18(21)20-17-10-9-13-7-8-14(11-16(13)17)19(22)23-2/h3-8,11,17H,9-10H2,1-2H3,(H,20,21)
InChIKeyCRDLHQNHUYIUPH-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 66700484) is methyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)C(NC(=O)c1ccccc1C)CC2.
What is the InChIKey of methyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is CRDLHQNHUYIUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-12-5-3-4-6-15(12)18(21)20-17-10-9-13-7-8-14(11-16(13)17)19(22)23-2/h3-8,11,17H,9-10H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 66700484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).