benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

C21H24N2O4 — CID 3243825

IUPACbenzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCOc1ccccc1NC(=O)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H24N2O4/c1-2-26-19-13-7-6-11-17(19)22-20(24)18-12-8-14-23(18)21(25)27-15-16-9-4-3-5-10-16/h3-7,9-11,13,18H,2,8,12,14-15H2,1H3,(H,22,24)
InChIKeyPUOZYYNZXQUOKR-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.83
Rot. Bonds6

About benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 3243825) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID3243825
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namebenzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCOc1ccccc1NC(=O)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H24N2O4/c1-2-26-19-13-7-6-11-17(19)22-20(24)18-12-8-14-23(18)21(25)27-15-16-9-4-3-5-10-16/h3-7,9-11,13,18H,2,8,12,14-15H2,1H3,(H,22,24)
InChIKeyPUOZYYNZXQUOKR-UHFFFAOYSA-N
XLogP3.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 3243825) is benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is CCOc1ccccc1NC(=O)C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is PUOZYYNZXQUOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-26-19-13-7-6-11-17(19)22-20(24)18-12-8-14-23(18)21(25)27-15-16-9-4-3-5-10-16/h3-7,9-11,13,18H,2,8,12,14-15H2,1H3,(H,22,24).
What are the key properties of benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 368.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 3243825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).