propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate

C24H28N2O5 — CID 7477482

IUPACpropan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate
SMILESCCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1
InChIInChI=1S/C24H28N2O5/c1-4-13-30-21-11-9-20(10-12-21)26-15-18(14-22(26)27)23(28)25-19-7-5-17(6-8-19)24(29)31-16(2)3/h5-12,16,18H,4,13-15H2,1-3H3,(H,25,28)/t18-/m1/s1
InChIKeyRCDUOGPBMHHLNK-GOSISDBHSA-N
MW424.50 g/mol
LogP4.03
Rot. Bonds8

About propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate

propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 7477482) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate
PubChem CID7477482
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Namepropan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate
SMILESCCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1
InChIInChI=1S/C24H28N2O5/c1-4-13-30-21-11-9-20(10-12-21)26-15-18(14-22(26)27)23(28)25-19-7-5-17(6-8-19)24(29)31-16(2)3/h5-12,16,18H,4,13-15H2,1-3H3,(H,25,28)/t18-/m1/s1
InChIKeyRCDUOGPBMHHLNK-GOSISDBHSA-N
XLogP4.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
(3R)-N-(4-acetylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236687
propan-2-yl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 40605759
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785661
(3R)-N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2253384
N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2856431
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
propan-2-yl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 1260248
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
butyl 4-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9004965
N-(3-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2968748

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate (CID 7477482) is propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate is CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1.
What is the InChIKey of propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is RCDUOGPBMHHLNK-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-4-13-30-21-11-9-20(10-12-21)26-15-18(14-22(26)27)23(28)25-19-7-5-17(6-8-19)24(29)31-16(2)3/h5-12,16,18H,4,13-15H2,1-3H3,(H,25,28)/t18-/m1/s1.
What are the key properties of propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate?
propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 424.50 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 7477482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).