1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide

C17H25N3O2 — CID 44764160

IUPAC1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(N(C)c2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c1-3-4-8-11-18-17(22)14-12-16(21)20(13-14)19(2)15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3,(H,18,22)
InChIKeyRQNDCXCUUOQSJZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.19
Rot. Bonds7

About 1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide

1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide (PubChem CID 44764160) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide
PubChem CID44764160
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(N(C)c2ccccc2)C1
InChIInChI=1S/C17H25N3O2/c1-3-4-8-11-18-17(22)14-12-16(21)20(13-14)19(2)15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3,(H,18,22)
InChIKeyRQNDCXCUUOQSJZ-UHFFFAOYSA-N
XLogP2.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide (CID 44764160) is 1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide is CCCCCNC(=O)C1CC(=O)N(N(C)c2ccccc2)C1.
What is the InChIKey of 1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The InChIKey is RQNDCXCUUOQSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-4-8-11-18-17(22)14-12-16(21)20(13-14)19(2)15-9-6-5-7-10-15/h5-7,9-10,14H,3-4,8,11-13H2,1-2H3,(H,18,22).
What are the key properties of 1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-methylanilino)-5-oxo-N-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 44764160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).