[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate

C22H24N2O4 — CID 35435866

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Oc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C22H24N2O4/c1-22(2,3)21(27)23-16-7-4-6-15(14-16)20(26)28-18-11-9-17(10-12-18)24-13-5-8-19(24)25/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H,23,27)
InChIKeyLGOYGSUSZNFKAJ-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.02
Rot. Bonds4

About [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate

[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate (PubChem CID 35435866) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate
PubChem CID35435866
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Oc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C22H24N2O4/c1-22(2,3)21(27)23-16-7-4-6-15(14-16)20(26)28-18-11-9-17(10-12-18)24-13-5-8-19(24)25/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H,23,27)
InChIKeyLGOYGSUSZNFKAJ-UHFFFAOYSA-N
XLogP4.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 32621761
[4-(2-oxopyrrolidin-1-yl)phenyl] furan-3-carboxylate
CID 34144593
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952771
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8581421
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanamide
CID 120587349
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27256400
[4-(thiophene-2-carbonylamino)phenyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 34752632
N,N-dimethyl-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 51339093
2,2-dimethyl-N-[4-[[6-(2-oxopyrrolidin-1-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040336
[4-(2-oxopyrrolidin-1-yl)phenyl] 5-methyl-1,2-oxazole-3-carboxylate
CID 51218356
3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27446063
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate (CID 35435866) is [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate is CC(C)(C)C(=O)Nc1cccc(C(=O)Oc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate?
The InChIKey is LGOYGSUSZNFKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-22(2,3)21(27)23-16-7-4-6-15(14-16)20(26)28-18-11-9-17(10-12-18)24-13-5-8-19(24)25/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H,23,27).
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate has a molecular weight of 380.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2,2-dimethylpropanoylamino)benzoate is sourced from PubChem (CID 35435866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).