phenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

C19H20N2O3 — CID 551117

IUPACphenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)c1
InChIInChI=1S/C19H20N2O3/c1-14-7-5-8-15(13-14)20-18(22)17-11-6-12-21(17)19(23)24-16-9-3-2-4-10-16/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22)
InChIKeyLUIOTNNQIYSPBS-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.60
Rot. Bonds3

About phenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

phenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 551117) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is phenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID551117
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namephenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)c1
InChIInChI=1S/C19H20N2O3/c1-14-7-5-8-15(13-14)20-18(22)17-11-6-12-21(17)19(23)24-16-9-3-2-4-10-16/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22)
InChIKeyLUIOTNNQIYSPBS-UHFFFAOYSA-N
XLogP3.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of phenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 551117) is phenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is Cc1cccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is LUIOTNNQIYSPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-7-5-8-15(13-14)20-18(22)17-11-6-12-21(17)19(23)24-16-9-3-2-4-10-16/h2-5,7-10,13,17H,6,11-12H2,1H3,(H,20,22).
What are the key properties of phenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
phenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 551117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).