1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one

C16H25NO3 — CID 115994582

IUPAC1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(CCOC)C(C)COC
InChIInChI=1S/C16H25NO3/c1-5-16(18)14-8-6-7-9-15(14)17(10-11-19-3)13(2)12-20-4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyFBLZGKBFVTUTQU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.77
Rot. Bonds9

About 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one

1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one (PubChem CID 115994582) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one
PubChem CID115994582
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(CCOC)C(C)COC
InChIInChI=1S/C16H25NO3/c1-5-16(18)14-8-6-7-9-15(14)17(10-11-19-3)13(2)12-20-4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyFBLZGKBFVTUTQU-UHFFFAOYSA-N
XLogP2.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one with MolForge

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Related Compounds

1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677386
1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677336
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 55005297
2-(1-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 115995066
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999381
1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one
CID 112677377
3-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
CID 62648719
3-N-(2-methoxyethyl)-3-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 104540169
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
CID 82785491
2-chloro-6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 62496690
2-[(1S)-1-aminoethyl]-3-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 78935533

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one?
The IUPAC name of 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one (CID 115994582) is 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one is CCC(=O)c1ccccc1N(CCOC)C(C)COC.
What is the InChIKey of 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one?
The InChIKey is FBLZGKBFVTUTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-16(18)14-8-6-7-9-15(14)17(10-11-19-3)13(2)12-20-4/h6-9,13H,5,10-12H2,1-4H3.
What are the key properties of 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one?
1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one has a molecular weight of 279.38 g/mol, XLogP of 2.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-one is sourced from PubChem (CID 115994582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).