2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone

C14H21NO3 — CID 61446317

IUPAC2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
SMILESCCN(CCOC)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-4-15(8-9-17-2)11-14(16)12-6-5-7-13(10-12)18-3/h5-7,10H,4,8-9,11H2,1-3H3
InChIKeyYRKFGFRLXXZUTN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.85
Rot. Bonds8

About 2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone

2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone (PubChem CID 61446317) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
PubChem CID61446317
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
SMILESCCN(CCOC)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H21NO3/c1-4-15(8-9-17-2)11-14(16)12-6-5-7-13(10-12)18-3/h5-7,10H,4,8-9,11H2,1-3H3
InChIKeyYRKFGFRLXXZUTN-UHFFFAOYSA-N
XLogP1.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
CID 54949360
2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61437442
2-[2-hydroxyethyl(propyl)amino]-1-(3-methoxyphenyl)ethanone
CID 62050940
1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948866
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid
CID 20989136
3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
CID 55136245
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone (CID 61446317) is 2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone is CCN(CCOC)CC(=O)c1cccc(OC)c1.
What is the InChIKey of 2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone?
The InChIKey is YRKFGFRLXXZUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-15(8-9-17-2)11-14(16)12-6-5-7-13(10-12)18-3/h5-7,10H,4,8-9,11H2,1-3H3.
What are the key properties of 2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone?
2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 61446317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).