benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

C21H24N2O4 — CID 3127517

IUPACbenzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCOc1ccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-26-18-12-10-17(11-13-18)22-20(24)19-9-6-14-23(19)21(25)27-15-16-7-4-3-5-8-16/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3,(H,22,24)
InChIKeyZJUZLTMSVIEJMX-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.83
Rot. Bonds6

About benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 3127517) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID3127517
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namebenzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCOc1ccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-2-26-18-12-10-17(11-13-18)22-20(24)19-9-6-14-23(19)21(25)27-15-16-7-4-3-5-8-16/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3,(H,22,24)
InChIKeyZJUZLTMSVIEJMX-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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Related Compounds

benzyl 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 84577175
benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 91182280
benzyl 2-[(4-iodophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 46502069
benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 6958654
benzyl (2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 10109941
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241
benzyl (2S)-2-[[4-(2,5-dimethoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582415
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
benzyl (2S)-2-[[4-[3-[4-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]phenyl]-1H-pyrazol-5-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 58533215
2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230278
benzyl 2-[[4-[(2,6-dichlorophenyl)carbamoyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 69023514
benzyl (2S)-2-[[3-(3-methoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582416

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 3127517) is benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is CCOc1ccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is ZJUZLTMSVIEJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-2-26-18-12-10-17(11-13-18)22-20(24)19-9-6-14-23(19)21(25)27-15-16-7-4-3-5-8-16/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3,(H,22,24).
What are the key properties of benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[(4-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-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 3127517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).