1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide

C20H30N2O3 — CID 50808032

IUPAC1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(N2C(=O)CCC2(C)C(=O)NCCCOC(C)C)c1
InChIInChI=1S/C20H30N2O3/c1-14(2)25-10-6-9-21-19(24)20(5)8-7-18(23)22(20)17-12-15(3)11-16(4)13-17/h11-14H,6-10H2,1-5H3,(H,21,24)
InChIKeyIXFOZKDNGWDBBF-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.12
Rot. Bonds7

About 1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide

1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide (PubChem CID 50808032) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
PubChem CID50808032
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(N2C(=O)CCC2(C)C(=O)NCCCOC(C)C)c1
InChIInChI=1S/C20H30N2O3/c1-14(2)25-10-6-9-21-19(24)20(5)8-7-18(23)22(20)17-12-15(3)11-16(4)13-17/h11-14H,6-10H2,1-5H3,(H,21,24)
InChIKeyIXFOZKDNGWDBBF-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.12
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-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide (CID 50808032) is 1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide is Cc1cc(C)cc(N2C(=O)CCC2(C)C(=O)NCCCOC(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is IXFOZKDNGWDBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14(2)25-10-6-9-21-19(24)20(5)8-7-18(23)22(20)17-12-15(3)11-16(4)13-17/h11-14H,6-10H2,1-5H3,(H,21,24).
What are the key properties of 1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide?
1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 50808032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).