benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

C21H24N2O4 — CID 3236900

IUPACbenzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H24N2O4/c1-15-10-11-19(26-2)17(13-15)22-20(24)18-9-6-12-23(18)21(25)27-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12,14H2,1-2H3,(H,22,24)
InChIKeyOKEYNJDYPZXACJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.74
Rot. Bonds5

About benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 3236900) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID3236900
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namebenzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H24N2O4/c1-15-10-11-19(26-2)17(13-15)22-20(24)18-9-6-12-23(18)21(25)27-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12,14H2,1-2H3,(H,22,24)
InChIKeyOKEYNJDYPZXACJ-UHFFFAOYSA-N
XLogP3.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3,4-Dimethyl-phenyl)-2-(2-oxo-benzooxazol-3-yl)-acetamide
CID 969749
4H-1,4-Benzoxazine-4-acetamide,2,3-dihydro-N-(2-methoxy-5-methylphenyl)-6-methyl-3-oxo-(9CI)
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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 3236900) is benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is COc1ccc(C)cc1NC(=O)C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is OKEYNJDYPZXACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15-10-11-19(26-2)17(13-15)22-20(24)18-9-6-12-23(18)21(25)27-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12,14H2,1-2H3,(H,22,24).
What are the key properties of benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 3236900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).