methyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate

C20H21NO3 — CID 59505408

IUPACmethyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1c(C)cccc1C)CC2
InChIInChI=1S/C20H21NO3/c1-12-5-4-6-13(2)18(12)19(22)21-17-10-9-14-7-8-15(11-16(14)17)20(23)24-3/h4-8,11,17H,9-10H2,1-3H3,(H,21,22)/t17-/m1/s1
InChIKeySTPHOXNOUGXLHP-QGZVFWFLSA-N
MW323.39 g/mol
LogP3.51
Rot. Bonds3

About methyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate

methyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 59505408) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID59505408
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Namemethyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1c(C)cccc1C)CC2
InChIInChI=1S/C20H21NO3/c1-12-5-4-6-13(2)18(12)19(22)21-17-10-9-14-7-8-15(11-16(14)17)20(23)24-3/h4-8,11,17H,9-10H2,1-3H3,(H,21,22)/t17-/m1/s1
InChIKeySTPHOXNOUGXLHP-QGZVFWFLSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 59505408) is methyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1c(C)cccc1C)CC2.
What is the InChIKey of methyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is STPHOXNOUGXLHP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21NO3/c1-12-5-4-6-13(2)18(12)19(22)21-17-10-9-14-7-8-15(11-16(14)17)20(23)24-3/h4-8,11,17H,9-10H2,1-3H3,(H,21,22)/t17-/m1/s1.
What are the key properties of methyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 59505408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).