1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone

C18H29NO2 — CID 79491164

IUPAC1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
SMILESCCC(CC)N(CC(=O)c1cccc(OC)c1)CC(C)C
InChIInChI=1S/C18H29NO2/c1-6-16(7-2)19(12-14(3)4)13-18(20)15-9-8-10-17(11-15)21-5/h8-11,14,16H,6-7,12-13H2,1-5H3
InChIKeyVBHMJGPGFKBVAZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.02
Rot. Bonds9

About 1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone

1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone (PubChem CID 79491164) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
PubChem CID79491164
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
SMILESCCC(CC)N(CC(=O)c1cccc(OC)c1)CC(C)C
InChIInChI=1S/C18H29NO2/c1-6-16(7-2)19(12-14(3)4)13-18(20)15-9-8-10-17(11-15)21-5/h8-11,14,16H,6-7,12-13H2,1-5H3
InChIKeyVBHMJGPGFKBVAZ-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154
1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60680137
2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61437442
1-(3,4-difluorophenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
CID 79491183
3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916558
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
5-(3-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759683
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681718
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61446317

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone?
The IUPAC name of 1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone (CID 79491164) is 1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone is CCC(CC)N(CC(=O)c1cccc(OC)c1)CC(C)C.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone?
The InChIKey is VBHMJGPGFKBVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-16(7-2)19(12-14(3)4)13-18(20)15-9-8-10-17(11-15)21-5/h8-11,14,16H,6-7,12-13H2,1-5H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone?
1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone has a molecular weight of 291.44 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone is sourced from PubChem (CID 79491164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).