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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propan-1-one
CID 82744240
3-[cyclopropylmethyl(methyl)amino]-1-(3-methylphenyl)propan-1-one
CID 62630543
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol
CID 82754768
N-cyclopropyl-3-methyl-N-(oxan-4-yl)benzamide
CID 110873037
1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54977204
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62030145
N-(3-amino-2-methylphenyl)-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732862
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione
CID 90354493
N-[3-(aminomethyl)phenyl]-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82732203
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735457

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).