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

C20H22N2O3 — CID 2876379

IUPACphenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)c1C
InChIInChI=1S/C20H22N2O3/c1-14-8-6-11-17(15(14)2)21-19(23)18-12-7-13-22(18)20(24)25-16-9-4-3-5-10-16/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,21,23)
InChIKeyFMZHHVUOWRQLEH-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.91
Rot. Bonds3

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

phenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 2876379) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is phenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID2876379
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namephenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCc1cccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)c1C
InChIInChI=1S/C20H22N2O3/c1-14-8-6-11-17(15(14)2)21-19(23)18-12-7-13-22(18)20(24)25-16-9-4-3-5-10-16/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,21,23)
InChIKeyFMZHHVUOWRQLEH-UHFFFAOYSA-N
XLogP3.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Oxo-benzooxazol-3-yl)-N-o-tolyl-acetamide
CID 893886
N-(3,4-Dimethyl-phenyl)-2-(2-oxo-benzooxazol-3-yl)-acetamide
CID 969749
1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 2669167
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
Phenyl 2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3112482
N-(3,4-dimethylphenyl)-N-ethyl-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
CID 4142440
2-[(4-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 16318694
2-m-Tolylcarbamoyl-pyrrolidine-1-carboxylic acid phenyl ester
CID 551117
N-(naphthalen-1-yl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
CID 709694
N'-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2217968
Benzyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3431168
(2S)-N-[(2S)-1-(4-methoxyanilino)butan-2-yl]-4-methyl-2-(3-phenylanilino)pentanamide
CID 10253693

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of phenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 2876379) is phenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate is Cc1cccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)c1C.
What is the InChIKey of phenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is FMZHHVUOWRQLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-8-6-11-17(15(14)2)21-19(23)18-12-7-13-22(18)20(24)25-16-9-4-3-5-10-16/h3-6,8-11,18H,7,12-13H2,1-2H3,(H,21,23).
What are the key properties of phenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
phenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[(2,3-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 2876379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).