1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one

C9H17NO3 — CID 59109288

IUPAC1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one
SMILESCOCCN(CC(C)=O)CC(C)=O
InChIInChI=1S/C9H17NO3/c1-8(11)6-10(4-5-13-3)7-9(2)12/h4-7H2,1-3H3
InChIKeyPYCSSIKDLIIXEO-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.11
Rot. Bonds7

About 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one

1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one (PubChem CID 59109288) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one
PubChem CID59109288
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one
SMILESCOCCN(CC(C)=O)CC(C)=O
InChIInChI=1S/C9H17NO3/c1-8(11)6-10(4-5-13-3)7-9(2)12/h4-7H2,1-3H3
InChIKeyPYCSSIKDLIIXEO-UHFFFAOYSA-N
XLogP0.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one?
The IUPAC name of 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one (CID 59109288) is 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one.
What is the SMILES notation for 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one?
The canonical SMILES for 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one is COCCN(CC(C)=O)CC(C)=O.
What is the InChIKey of 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one?
The InChIKey is PYCSSIKDLIIXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(11)6-10(4-5-13-3)7-9(2)12/h4-7H2,1-3H3.
What are the key properties of 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one?
1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(2-oxopropyl)amino]propan-2-one is sourced from PubChem (CID 59109288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).