2-[bis(2-methoxyethyl)amino]-1-phenylethanone

C14H21NO3 — CID 60649797

IUPAC2-[bis(2-methoxyethyl)amino]-1-phenylethanone
SMILESCOCCN(CCOC)CC(=O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-17-10-8-15(9-11-18-2)12-14(16)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyHULPWSNHQZOQCA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.46
Rot. Bonds9

About 2-[bis(2-methoxyethyl)amino]-1-phenylethanone

2-[bis(2-methoxyethyl)amino]-1-phenylethanone (PubChem CID 60649797) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-1-phenylethanone.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-1-phenylethanone
PubChem CID60649797
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[bis(2-methoxyethyl)amino]-1-phenylethanone
SMILESCOCCN(CCOC)CC(=O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-17-10-8-15(9-11-18-2)12-14(16)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyHULPWSNHQZOQCA-UHFFFAOYSA-N
XLogP1.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid
CID 82329885
3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
CID 62612759
3-methoxy-1-phenylpropan-1-one
CID 10942788
2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
CID 54949360
2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61446317
3-[[2-(4-iodophenyl)-2-oxoethyl]-(2-methoxyethyl)amino]propanenitrile
CID 63285257
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone
CID 60679019
1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone
CID 54986707
3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid
CID 75383603
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
CID 119189540

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-1-phenylethanone?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-1-phenylethanone (CID 60649797) is 2-[bis(2-methoxyethyl)amino]-1-phenylethanone.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-1-phenylethanone?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-1-phenylethanone is COCCN(CCOC)CC(=O)c1ccccc1.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-1-phenylethanone?
The InChIKey is HULPWSNHQZOQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-10-8-15(9-11-18-2)12-14(16)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3.
What are the key properties of 2-[bis(2-methoxyethyl)amino]-1-phenylethanone?
2-[bis(2-methoxyethyl)amino]-1-phenylethanone has a molecular weight of 251.33 g/mol, XLogP of 1.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-1-phenylethanone is sourced from PubChem (CID 60649797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).