N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide

C19H18N2O4 — CID 95621378

IUPACN-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide
SMILESCN(C(=O)c1cccc2c1OCO2)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H18N2O4/c1-20(18(22)14-8-5-9-16-17(14)25-12-24-16)15-10-11-21(19(15)23)13-6-3-2-4-7-13/h2-9,15H,10-12H2,1H3/t15-/m1/s1
InChIKeyURPGOQVAGZJIEW-OAHLLOKOSA-N
MW338.36 g/mol
LogP2.29
Rot. Bonds3

About N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide

N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide (PubChem CID 95621378) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide
PubChem CID95621378
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide
SMILESCN(C(=O)c1cccc2c1OCO2)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H18N2O4/c1-20(18(22)14-8-5-9-16-17(14)25-12-24-16)15-10-11-21(19(15)23)13-6-3-2-4-7-13/h2-9,15H,10-12H2,1H3/t15-/m1/s1
InChIKeyURPGOQVAGZJIEW-OAHLLOKOSA-N
XLogP2.29
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide (CID 95621378) is N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide is CN(C(=O)c1cccc2c1OCO2)[C@@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide?
The InChIKey is URPGOQVAGZJIEW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-20(18(22)14-8-5-9-16-17(14)25-12-24-16)15-10-11-21(19(15)23)13-6-3-2-4-7-13/h2-9,15H,10-12H2,1H3/t15-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide?
N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 95621378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).