1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone

C15H23NO2 — CID 98784318

IUPAC1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
SMILESCOc1cc(C(C)C)ccc1C(=O)CNC(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)12-6-7-13(15(8-12)18-5)14(17)9-16-11(3)4/h6-8,10-11,16H,9H2,1-5H3
InChIKeyQOKIQZMOBKDXON-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.00
Rot. Bonds6

About 1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone

1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone (PubChem CID 98784318) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
PubChem CID98784318
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
SMILESCOc1cc(C(C)C)ccc1C(=O)CNC(C)C
InChIInChI=1S/C15H23NO2/c1-10(2)12-6-7-13(15(8-12)18-5)14(17)9-16-11(3)4/h6-8,10-11,16H,9H2,1-5H3
InChIKeyQOKIQZMOBKDXON-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 110762907
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
N-tert-butyl-2-methoxy-4-propan-2-ylbenzamide
CID 110762942
methyl 4-butan-2-yl-2-methoxybenzoate
CID 123894176
N-(3-hydroxypropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 98016200
2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 116915369
N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 115271618
[1-(hydroxymethyl)cyclobutyl]-(2-methoxy-4-propan-2-ylphenyl)methanone
CID 116921965
2-(2-methoxy-4-propan-2-ylphenyl)acetamide
CID 82492357
2-amino-3-(2-methoxy-4-propan-2-ylphenyl)-3-oxopropanoic acid
CID 116920512
1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968366
2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 82053950

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone (CID 98784318) is 1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone is COc1cc(C(C)C)ccc1C(=O)CNC(C)C.
What is the InChIKey of 1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone?
The InChIKey is QOKIQZMOBKDXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)12-6-7-13(15(8-12)18-5)14(17)9-16-11(3)4/h6-8,10-11,16H,9H2,1-5H3.
What are the key properties of 1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone?
1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone has a molecular weight of 249.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 98784318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).