(5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate

C19H24N2O4 — CID 78877222

IUPAC(5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate
SMILESO=C1CCC(COC(=O)c2cccc(NC(=O)C3CCCCC3)c2)N1
InChIInChI=1S/C19H24N2O4/c22-17-10-9-16(20-17)12-25-19(24)14-7-4-8-15(11-14)21-18(23)13-5-2-1-3-6-13/h4,7-8,11,13,16H,1-3,5-6,9-10,12H2,(H,20,22)(H,21,23)
InChIKeyDENJSTNDVLLKJY-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.64
Rot. Bonds5

About (5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate

(5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate (PubChem CID 78877222) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate.

Molecular Properties

Compound Name(5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate
PubChem CID78877222
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate
SMILESO=C1CCC(COC(=O)c2cccc(NC(=O)C3CCCCC3)c2)N1
InChIInChI=1S/C19H24N2O4/c22-17-10-9-16(20-17)12-25-19(24)14-7-4-8-15(11-14)21-18(23)13-5-2-1-3-6-13/h4,7-8,11,13,16H,1-3,5-6,9-10,12H2,(H,20,22)(H,21,23)
InChIKeyDENJSTNDVLLKJY-UHFFFAOYSA-N
XLogP2.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110462157
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
ethyl 3-(piperidine-3-carbonylamino)benzoate
CID 61260625
3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate
CID 32961243
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate
CID 112999895
tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 51255258
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide
CID 17227771
[(1R,2R)-2-methoxycyclopentyl] 3-(cyclopropanecarbonylamino)benzoate
CID 96523638

Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate?
The IUPAC name of (5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate (CID 78877222) is (5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate.
What is the SMILES notation for (5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate?
The canonical SMILES for (5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate is O=C1CCC(COC(=O)c2cccc(NC(=O)C3CCCCC3)c2)N1.
What is the InChIKey of (5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate?
The InChIKey is DENJSTNDVLLKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17-10-9-16(20-17)12-25-19(24)14-7-4-8-15(11-14)21-18(23)13-5-2-1-3-6-13/h4,7-8,11,13,16H,1-3,5-6,9-10,12H2,(H,20,22)(H,21,23).
What are the key properties of (5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate?
(5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate has a molecular weight of 344.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-2-yl)methyl 3-(cyclohexanecarbonylamino)benzoate is sourced from PubChem (CID 78877222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).