methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate

C22H24N2O4 — CID 126449126

IUPACmethyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
SMILESCCN1C[C@@H](CNC(=O)c2ccc(-c3cccc(C(=O)OC)c3)cc2)CC1=O
InChIInChI=1S/C22H24N2O4/c1-3-24-14-15(11-20(24)25)13-23-21(26)17-9-7-16(8-10-17)18-5-4-6-19(12-18)22(27)28-2/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyXHPFHJHWTHPWOB-OAHLLOKOSA-N
MW380.44 g/mol
LogP2.74
Rot. Bonds6

About methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate

methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate (PubChem CID 126449126) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
PubChem CID126449126
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
SMILESCCN1C[C@@H](CNC(=O)c2ccc(-c3cccc(C(=O)OC)c3)cc2)CC1=O
InChIInChI=1S/C22H24N2O4/c1-3-24-14-15(11-20(24)25)13-23-21(26)17-9-7-16(8-10-17)18-5-4-6-19(12-18)22(27)28-2/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyXHPFHJHWTHPWOB-OAHLLOKOSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate with MolForge

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Related Compounds

3-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 124842945
N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-[6-(methylamino)-3-pyridinyl]benzamide
CID 125448469
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
methyl 3-[3-(ethylcarbamoyl)phenyl]benzoate
CID 70972222
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 45196587
3-hydroxy-N-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 125169497
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 16919284
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
methyl 4-[4-(benzamidomethyl)piperidin-1-yl]-3-nitrobenzoate
CID 11101370
methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108805610

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate?
The IUPAC name of methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate (CID 126449126) is methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate.
What is the SMILES notation for methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate?
The canonical SMILES for methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate is CCN1C[C@@H](CNC(=O)c2ccc(-c3cccc(C(=O)OC)c3)cc2)CC1=O.
What is the InChIKey of methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate?
The InChIKey is XHPFHJHWTHPWOB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-24-14-15(11-20(24)25)13-23-21(26)17-9-7-16(8-10-17)18-5-4-6-19(12-18)22(27)28-2/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,23,26)/t15-/m1/s1.
What are the key properties of methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate?
methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate has a molecular weight of 380.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate is sourced from PubChem (CID 126449126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).