2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone

C15H23NO3 — CID 62030923

IUPAC2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN(CCCO)C(C)C
InChIInChI=1S/C15H23NO3/c1-12(2)16(9-6-10-17)11-14(18)13-7-4-5-8-15(13)19-3/h4-5,7-8,12,17H,6,9-11H2,1-3H3
InChIKeyAHQJOLHDYKPQEU-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.97
Rot. Bonds8

About 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone

2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone (PubChem CID 62030923) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
PubChem CID62030923
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN(CCCO)C(C)C
InChIInChI=1S/C15H23NO3/c1-12(2)16(9-6-10-17)11-14(18)13-7-4-5-8-15(13)19-3/h4-5,7-8,12,17H,6,9-11H2,1-3H3
InChIKeyAHQJOLHDYKPQEU-UHFFFAOYSA-N
XLogP1.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62031492
3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 63365326
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone
CID 104552748
1-(5-fluoro-2-hydroxyphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]ethanone
CID 62030728
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 107481149
1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795412
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone
CID 55001836
N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide
CID 86593207
2-(3-hydroxypropylsulfanyl)-1-(2-methoxyphenyl)ethanone
CID 66125952
1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62645290
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone
CID 62030544

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone (CID 62030923) is 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)CN(CCCO)C(C)C.
What is the InChIKey of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone?
The InChIKey is AHQJOLHDYKPQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)16(9-6-10-17)11-14(18)13-7-4-5-8-15(13)19-3/h4-5,7-8,12,17H,6,9-11H2,1-3H3.
What are the key properties of 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone?
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone has a molecular weight of 265.35 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 62030923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).