N-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C16H21N3O3 — CID 6459465

IUPACN-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C16H21N3O3/c1-10(2)19-9-11(8-14(19)20)15(21)18-13-7-5-4-6-12(13)16(22)17-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyBYICFOYEHJZPNP-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.24
Rot. Bonds4

About N-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 6459465) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID6459465
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C16H21N3O3/c1-10(2)19-9-11(8-14(19)20)15(21)18-13-7-5-4-6-12(13)16(22)17-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,22)(H,18,21)
InChIKeyBYICFOYEHJZPNP-UHFFFAOYSA-N
XLogP1.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 6459465) is N-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of N-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is BYICFOYEHJZPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(2)19-9-11(8-14(19)20)15(21)18-13-7-5-4-6-12(13)16(22)17-3/h4-7,10-11H,8-9H2,1-3H3,(H,17,22)(H,18,21).
What are the key properties of N-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6459465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).