3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one

C15H21NO2 — CID 82744004

IUPAC3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCN(C)C2CCOC2)c1
InChIInChI=1S/C15H21NO2/c1-12-4-3-5-13(10-12)15(17)6-8-16(2)14-7-9-18-11-14/h3-5,10,14H,6-9,11H2,1-2H3
InChIKeyVKOPGPPHFPQUMQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds5

About 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one

3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one (PubChem CID 82744004) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one
PubChem CID82744004
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCN(C)C2CCOC2)c1
InChIInChI=1S/C15H21NO2/c1-12-4-3-5-13(10-12)15(17)6-8-16(2)14-7-9-18-11-14/h3-5,10,14H,6-9,11H2,1-2H3
InChIKeyVKOPGPPHFPQUMQ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one?
The IUPAC name of 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one (CID 82744004) is 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one?
The canonical SMILES for 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one is Cc1cccc(C(=O)CCN(C)C2CCOC2)c1.
What is the InChIKey of 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one?
The InChIKey is VKOPGPPHFPQUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-4-3-5-13(10-12)15(17)6-8-16(2)14-7-9-18-11-14/h3-5,10,14H,6-9,11H2,1-2H3.
What are the key properties of 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one?
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 82744004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).