3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one

C19H24N2O3 — CID 134052933

IUPAC3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one
SMILESCOc1ccc(OC)c(CCC(=O)n2cccc/c2=N\C(C)C)c1
InChIInChI=1S/C19H24N2O3/c1-14(2)20-18-7-5-6-12-21(18)19(22)11-8-15-13-16(23-3)9-10-17(15)24-4/h5-7,9-10,12-14H,8,11H2,1-4H3/b20-18+
InChIKeyMHIHNOYCOAKMPH-CZIZESTLSA-N
MW328.41 g/mol
LogP3.09
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one

3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one (PubChem CID 134052933) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one
PubChem CID134052933
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one
SMILESCOc1ccc(OC)c(CCC(=O)n2cccc/c2=N\C(C)C)c1
InChIInChI=1S/C19H24N2O3/c1-14(2)20-18-7-5-6-12-21(18)19(22)11-8-15-13-16(23-3)9-10-17(15)24-4/h5-7,9-10,12-14H,8,11H2,1-4H3/b20-18+
InChIKeyMHIHNOYCOAKMPH-CZIZESTLSA-N
XLogP3.09
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
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CID 174542890
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
1-(2,5-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 64503606
3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228673
3-(2,5-dimethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 38031826
3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 82265548
1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2,5-dimethoxyphenyl)propan-1-one
CID 38041136
3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 55888907
(2R)-1-[3-(2,5-dimethoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372093
3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650953

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one (CID 134052933) is 3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one is COc1ccc(OC)c(CCC(=O)n2cccc/c2=N\C(C)C)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one?
The InChIKey is MHIHNOYCOAKMPH-CZIZESTLSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(2)20-18-7-5-6-12-21(18)19(22)11-8-15-13-16(23-3)9-10-17(15)24-4/h5-7,9-10,12-14H,8,11H2,1-4H3/b20-18+.
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one?
3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one has a molecular weight of 328.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one is sourced from PubChem (CID 134052933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).