2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide

C11H21N3O3 — CID 130218836

IUPAC2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
SMILESCC(=O)CC(NC(C)=O)C(=O)NCCN(C)C
InChIInChI=1S/C11H21N3O3/c1-8(15)7-10(13-9(2)16)11(17)12-5-6-14(3)4/h10H,5-7H2,1-4H3,(H,12,17)(H,13,16)
InChIKeyNPVXOABCALEAJZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.85
Rot. Bonds7

About 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide

2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide (PubChem CID 130218836) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
PubChem CID130218836
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
SMILESCC(=O)CC(NC(C)=O)C(=O)NCCN(C)C
InChIInChI=1S/C11H21N3O3/c1-8(15)7-10(13-9(2)16)11(17)12-5-6-14(3)4/h10H,5-7H2,1-4H3,(H,12,17)(H,13,16)
InChIKeyNPVXOABCALEAJZ-UHFFFAOYSA-N
XLogP-0.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
The IUPAC name of 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide (CID 130218836) is 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide.
What is the SMILES notation for 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
The canonical SMILES for 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide is CC(=O)CC(NC(C)=O)C(=O)NCCN(C)C.
What is the InChIKey of 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
The InChIKey is NPVXOABCALEAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(15)7-10(13-9(2)16)11(17)12-5-6-14(3)4/h10H,5-7H2,1-4H3,(H,12,17)(H,13,16).
What are the key properties of 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide?
2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide has a molecular weight of 243.31 g/mol, XLogP of -0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(dimethylamino)ethyl]-4-oxopentanamide is sourced from PubChem (CID 130218836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).