ethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate

C22H26N2O3 — CID 20895977

IUPACethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)N2CCCC2c2ccccc2C)cc1
InChIInChI=1S/C22H26N2O3/c1-3-27-21(25)15-17-10-12-18(13-11-17)23-22(26)24-14-6-9-20(24)19-8-5-4-7-16(19)2/h4-5,7-8,10-13,20H,3,6,9,14-15H2,1-2H3,(H,23,26)
InChIKeyAFUTXMYYKZVXER-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.47
Rot. Bonds5

About ethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate

ethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate (PubChem CID 20895977) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is ethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate
PubChem CID20895977
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nameethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)N2CCCC2c2ccccc2C)cc1
InChIInChI=1S/C22H26N2O3/c1-3-27-21(25)15-17-10-12-18(13-11-17)23-22(26)24-14-6-9-20(24)19-8-5-4-7-16(19)2/h4-5,7-8,10-13,20H,3,6,9,14-15H2,1-2H3,(H,23,26)
InChIKeyAFUTXMYYKZVXER-UHFFFAOYSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate (CID 20895977) is ethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)N2CCCC2c2ccccc2C)cc1.
What is the InChIKey of ethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate?
The InChIKey is AFUTXMYYKZVXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-27-21(25)15-17-10-12-18(13-11-17)23-22(26)24-14-6-9-20(24)19-8-5-4-7-16(19)2/h4-5,7-8,10-13,20H,3,6,9,14-15H2,1-2H3,(H,23,26).
What are the key properties of ethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate?
ethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate has a molecular weight of 366.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[2-(2-methylphenyl)pyrrolidine-1-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 20895977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).