N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide

C12H21N3O3 — CID 78982846

IUPACN-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C1CNC(=O)C1
InChIInChI=1S/C12H21N3O3/c1-4-5-15(8-11(17)14(2)3)12(18)9-6-10(16)13-7-9/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyRQFXLECQRXNFKZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.55
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 78982846) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID78982846
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C1CNC(=O)C1
InChIInChI=1S/C12H21N3O3/c1-4-5-15(8-11(17)14(2)3)12(18)9-6-10(16)13-7-9/h9H,4-8H2,1-3H3,(H,13,16)
InChIKeyRQFXLECQRXNFKZ-UHFFFAOYSA-N
XLogP-0.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 78982846) is N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCN(CC(=O)N(C)C)C(=O)C1CNC(=O)C1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is RQFXLECQRXNFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-5-15(8-11(17)14(2)3)12(18)9-6-10(16)13-7-9/h9H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 78982846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).