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

C17H23N3O3 — CID 6493104

IUPACN-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C17H23N3O3/c1-4-18-17(23)13-7-5-6-8-14(13)19-16(22)12-9-15(21)20(10-12)11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyDDNMQABWFUGLOA-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.63
Rot. Bonds5

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

N-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 6493104) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID6493104
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C17H23N3O3/c1-4-18-17(23)13-7-5-6-8-14(13)19-16(22)12-9-15(21)20(10-12)11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyDDNMQABWFUGLOA-UHFFFAOYSA-N
XLogP1.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 6493104) is N-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of N-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is DDNMQABWFUGLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-18-17(23)13-7-5-6-8-14(13)19-16(22)12-9-15(21)20(10-12)11(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of N-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6493104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).