3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one

C17H27NO3 — CID 62613959

IUPAC3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCOCCN(CCC(=O)c1ccc(C)cc1)C(C)COC
InChIInChI=1S/C17H27NO3/c1-14-5-7-16(8-6-14)17(19)9-10-18(11-12-20-3)15(2)13-21-4/h5-8,15H,9-13H2,1-4H3
InChIKeyLRLHYGYMKUPICR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.55
Rot. Bonds10

About 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one

3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 62613959) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID62613959
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCOCCN(CCC(=O)c1ccc(C)cc1)C(C)COC
InChIInChI=1S/C17H27NO3/c1-14-5-7-16(8-6-14)17(19)9-10-18(11-12-20-3)15(2)13-21-4/h5-8,15H,9-13H2,1-4H3
InChIKeyLRLHYGYMKUPICR-UHFFFAOYSA-N
XLogP2.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one
CID 62619707
1-(4-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]propan-1-one
CID 82952009
1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one
CID 62613655
3-[di(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 174749229
2-[2-methoxyethyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 61427109
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55010842
3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62611644
3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
CID 62612759
3-amino-5-methoxy-1-(4-methylphenyl)pentan-1-one
CID 103967319
ethyl 3-[2-methoxyethyl-(4-methylbenzoyl)amino]propanoate
CID 42702523
3-fluoro-4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 63075070
1-(furan-2-yl)-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethanone
CID 55004845

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one (CID 62613959) is 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one is COCCN(CCC(=O)c1ccc(C)cc1)C(C)COC.
What is the InChIKey of 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is LRLHYGYMKUPICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-14-5-7-16(8-6-14)17(19)9-10-18(11-12-20-3)15(2)13-21-4/h5-8,15H,9-13H2,1-4H3.
What are the key properties of 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one?
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 293.41 g/mol, XLogP of 2.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 62613959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).