phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

C19H20N2O3 — CID 655757

IUPACphenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C19H20N2O3/c1-14-9-11-15(12-10-14)20-18(22)17-8-5-13-21(17)19(23)24-16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,20,22)
InChIKeyUBPGAGHLBNQINO-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.60
Rot. Bonds3

About phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 655757) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID655757
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namephenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C19H20N2O3/c1-14-9-11-15(12-10-14)20-18(22)17-8-5-13-21(17)19(23)24-16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,20,22)
InChIKeyUBPGAGHLBNQINO-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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Related Compounds

phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 6543354
phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 774408
phenyl 2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127519
tert-butyl (2S)-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70174711
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 800862
phenyl (2S)-2-[(2-bromo-4,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126003503
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate
CID 3112487
1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
phenyl (2S)-2-[[(2S)-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 41374824

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 655757) is phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is Cc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is UBPGAGHLBNQINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14-9-11-15(12-10-14)20-18(22)17-8-5-13-21(17)19(23)24-16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,20,22).
What are the key properties of phenyl 2-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
phenyl 2-[(4-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-[(4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 655757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).