1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone

C14H19NO2 — CID 103434889

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H19NO2/c1-5-8-15-9-13(16)12-7-6-10(2)11(3)14(12)17-4/h5-7,15H,1,8-9H2,2-4H3
InChIKeyBBRIIQOAPFPDLF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.27
Rot. Bonds6

About 1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone

1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone (PubChem CID 103434889) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone
PubChem CID103434889
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H19NO2/c1-5-8-15-9-13(16)12-7-6-10(2)11(3)14(12)17-4/h5-7,15H,1,8-9H2,2-4H3
InChIKeyBBRIIQOAPFPDLF-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 14563122
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CID 3062446
8-Methoxy-2-(prop-2-ynylamino)naphthalene-1,4-dione
CID 164618819
2-n-Butylaminobenzo[h]chromen-4-one
CID 11521848
2-(5,6-dimethyl-9-oxoxanthen-4-yl)-N-propylacetamide
CID 71550063
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CID 41721
3-(Ethyl amino)-5-methoxy-2-methylnaphthalene-1,4-dione
CID 76315027
3-(Hexylamino)-5-methoxy-2-methylnaphthalene-1,4-dione
CID 76315028
5-Methoxy-2-methyl-3-(nonylamino)naphthalene-1,4-dione
CID 76315029
(e)-5-Methoxy-2-methyl-3-(octadec-9-enylamino)naphthalene-1,4-dione
CID 76318674
5-Methoxy-2-methyl-3-(propylamino)naphthalene-1,4-dione
CID 76318675
5-Methoxy-2-methyl-3-(octylamino)naphthalene-1,4-dione
CID 76322322

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone (CID 103434889) is 1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)c1ccc(C)c(C)c1OC.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone?
The InChIKey is BBRIIQOAPFPDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-8-15-9-13(16)12-7-6-10(2)11(3)14(12)17-4/h5-7,15H,1,8-9H2,2-4H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone?
1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 103434889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).