3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide

C18H28N4O2 — CID 71917879

IUPAC3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)NCCc2ccc(C)cc2C)C1
InChIInChI=1S/C18H28N4O2/c1-4-19-18(24)22-10-8-16(12-22)21-17(23)20-9-7-15-6-5-13(2)11-14(15)3/h5-6,11,16H,4,7-10,12H2,1-3H3,(H,19,24)(H2,20,21,23)
InChIKeyPQGYHBREVSVDQM-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.95
Rot. Bonds5

About 3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide

3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide (PubChem CID 71917879) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
PubChem CID71917879
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)NCCc2ccc(C)cc2C)C1
InChIInChI=1S/C18H28N4O2/c1-4-19-18(24)22-10-8-16(12-22)21-17(23)20-9-7-15-6-5-13(2)11-14(15)3/h5-6,11,16H,4,7-10,12H2,1-3H3,(H,19,24)(H2,20,21,23)
InChIKeyPQGYHBREVSVDQM-UHFFFAOYSA-N
XLogP1.95
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide (CID 71917879) is 3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)NCCc2ccc(C)cc2C)C1.
What is the InChIKey of 3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is PQGYHBREVSVDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-19-18(24)22-10-8-16(12-22)21-17(23)20-9-7-15-6-5-13(2)11-14(15)3/h5-6,11,16H,4,7-10,12H2,1-3H3,(H,19,24)(H2,20,21,23).
What are the key properties of 3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide?
3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethylphenyl)ethylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 71917879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).