1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

C12H22N4O3 — CID 42926317

IUPAC1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)NC(=O)CN1CCCC1C(=O)N(C)C
InChIInChI=1S/C12H22N4O3/c1-4-13-12(19)14-10(17)8-16-7-5-6-9(16)11(18)15(2)3/h9H,4-8H2,1-3H3,(H2,13,14,17,19)
InChIKeyPMXXSIKGWITQGJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.62
Rot. Bonds4

About 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 42926317) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID42926317
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)NC(=O)CN1CCCC1C(=O)N(C)C
InChIInChI=1S/C12H22N4O3/c1-4-13-12(19)14-10(17)8-16-7-5-6-9(16)11(18)15(2)3/h9H,4-8H2,1-3H3,(H2,13,14,17,19)
InChIKeyPMXXSIKGWITQGJ-UHFFFAOYSA-N
XLogP-0.62
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 42926317) is 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is CCNC(=O)NC(=O)CN1CCCC1C(=O)N(C)C.
What is the InChIKey of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is PMXXSIKGWITQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-4-13-12(19)14-10(17)8-16-7-5-6-9(16)11(18)15(2)3/h9H,4-8H2,1-3H3,(H2,13,14,17,19).
What are the key properties of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42926317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).