2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one

C15H21NO2 — CID 82743357

IUPAC2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one
SMILESCC(CN(C)C1CCOC1)C(=O)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(10-16(2)14-8-9-18-11-14)15(17)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyZLUYHKKKHYFSCJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.23
Rot. Bonds5

About 2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one

2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one (PubChem CID 82743357) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one
PubChem CID82743357
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one
SMILESCC(CN(C)C1CCOC1)C(=O)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(10-16(2)14-8-9-18-11-14)15(17)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyZLUYHKKKHYFSCJ-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(oxan-4-ylmethyl)amino]-1-phenylpropan-1-one
CID 63712860
2-methyl-3-[methyl(oxolan-3-yl)amino]propanehydrazide
CID 82754042
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62613157
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
2-methyl-3-[methyl(oxepan-4-yl)amino]propanoic acid
CID 65080780
3-[methyl(oxolan-3-yl)amino]-2-phenylpropanenitrile
CID 82738157
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
2-methyl-3-[methyl(oxolan-3-yl)amino]propanimidamide
CID 63558755
2-(2-hydroxyphenyl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 80717573
1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one
CID 82742632
3-[ethyl-[methyl(oxolan-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 82748099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one?
The IUPAC name of 2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one (CID 82743357) is 2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one?
The canonical SMILES for 2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one is CC(CN(C)C1CCOC1)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one?
The InChIKey is ZLUYHKKKHYFSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(10-16(2)14-8-9-18-11-14)15(17)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of 2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one?
2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(oxolan-3-yl)amino]-1-phenylpropan-1-one is sourced from PubChem (CID 82743357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).