3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one

C16H25NO2 — CID 62612759

IUPAC3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
SMILESCOCCN(CCC(=O)c1ccccc1)CC(C)C
InChIInChI=1S/C16H25NO2/c1-14(2)13-17(11-12-19-3)10-9-16(18)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3
InChIKeyMVXAWMVWARWTBA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.86
Rot. Bonds9

About 3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one

3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one (PubChem CID 62612759) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
PubChem CID62612759
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
SMILESCOCCN(CCC(=O)c1ccccc1)CC(C)C
InChIInChI=1S/C16H25NO2/c1-14(2)13-17(11-12-19-3)10-9-16(18)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3
InChIKeyMVXAWMVWARWTBA-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid
CID 82329885
3-methoxy-1-phenylpropan-1-one
CID 10942788
1-(4-chlorophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanone
CID 54986707
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55138914
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one
CID 62619386
3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid
CID 75383603
methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate
CID 78959230
3-[ethyl(2-methylpropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62611644
N-(2-methoxyethyl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 78853346

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one?
The IUPAC name of 3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one (CID 62612759) is 3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one is COCCN(CCC(=O)c1ccccc1)CC(C)C.
What is the InChIKey of 3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one?
The InChIKey is MVXAWMVWARWTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14(2)13-17(11-12-19-3)10-9-16(18)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3.
What are the key properties of 3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one?
3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 62612759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).