N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide

C15H29N3O3 — CID 131928746

IUPACN-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide
SMILESCOCCN(C)CC(=O)NCC1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)18-10-12(8-14(18)20)9-16-13(19)11-17(4)6-7-21-5/h12H,6-11H2,1-5H3,(H,16,19)
InChIKeyASENIYNHOLSBOK-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.33
Rot. Bonds7

About N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide

N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide (PubChem CID 131928746) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide
PubChem CID131928746
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC NameN-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide
SMILESCOCCN(C)CC(=O)NCC1CC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)18-10-12(8-14(18)20)9-16-13(19)11-17(4)6-7-21-5/h12H,6-11H2,1-5H3,(H,16,19)
InChIKeyASENIYNHOLSBOK-UHFFFAOYSA-N
XLogP0.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide?
The IUPAC name of N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide (CID 131928746) is N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide.
What is the SMILES notation for N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide?
The canonical SMILES for N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide is COCCN(C)CC(=O)NCC1CC(=O)N(C(C)(C)C)C1.
What is the InChIKey of N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide?
The InChIKey is ASENIYNHOLSBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)18-10-12(8-14(18)20)9-16-13(19)11-17(4)6-7-21-5/h12H,6-11H2,1-5H3,(H,16,19).
What are the key properties of N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide?
N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide has a molecular weight of 299.42 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide is sourced from PubChem (CID 131928746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).