1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one

C12H25NO3 — CID 107507210

IUPAC1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one
SMILESCCC(CC)N(CCOC)CC(=O)COC
InChIInChI=1S/C12H25NO3/c1-5-11(6-2)13(7-8-15-3)9-12(14)10-16-4/h11H,5-10H2,1-4H3
InChIKeyZAGXJOKCLUFWIM-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.34
Rot. Bonds10

About 1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one

1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one (PubChem CID 107507210) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one
PubChem CID107507210
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one
SMILESCCC(CC)N(CCOC)CC(=O)COC
InChIInChI=1S/C12H25NO3/c1-5-11(6-2)13(7-8-15-3)9-12(14)10-16-4/h11H,5-10H2,1-4H3
InChIKeyZAGXJOKCLUFWIM-UHFFFAOYSA-N
XLogP1.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-4-[2-methoxyethyl(pentan-3-yl)amino]-3-methylbut-2-enoic acid
CID 55236913
1-[2-hydroxyethyl(propan-2-yl)amino]-3-methoxypropan-2-one
CID 107507348
ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
CID 55004372
2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide
CID 63763709
2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid
CID 114996787
N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide
CID 55640369
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63054663
2-bromo-N-(2-methoxyethyl)-N-pentan-3-ylbutanamide
CID 62855963
1-methoxy-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-one
CID 107507220
N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine
CID 63657246
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
CID 62015077

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one?
The IUPAC name of 1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one (CID 107507210) is 1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one.
What is the SMILES notation for 1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one?
The canonical SMILES for 1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one is CCC(CC)N(CCOC)CC(=O)COC.
What is the InChIKey of 1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one?
The InChIKey is ZAGXJOKCLUFWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-11(6-2)13(7-8-15-3)9-12(14)10-16-4/h11H,5-10H2,1-4H3.
What are the key properties of 1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one?
1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one has a molecular weight of 231.34 g/mol, XLogP of 1.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one is sourced from PubChem (CID 107507210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).