1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone

C15H23NO3 — CID 113388856

IUPAC1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone
SMILESCOc1cccc(N(CCCO)C(C)C)c1C(C)=O
InChIInChI=1S/C15H23NO3/c1-11(2)16(9-6-10-17)13-7-5-8-14(19-4)15(13)12(3)18/h5,7-8,11,17H,6,9-10H2,1-4H3
InChIKeyQXJCAWNNZQVNJW-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.49
Rot. Bonds7

About 1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone

1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone (PubChem CID 113388856) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone
PubChem CID113388856
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone
SMILESCOc1cccc(N(CCCO)C(C)C)c1C(C)=O
InChIInChI=1S/C15H23NO3/c1-11(2)16(9-6-10-17)13-7-5-8-14(19-4)15(13)12(3)18/h5,7-8,11,17H,6,9-10H2,1-4H3
InChIKeyQXJCAWNNZQVNJW-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-N-propan-2-ylanilino)propanoic acid
CID 82318620
1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-one
CID 112677377
1-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methoxyphenyl]ethanone
CID 113475776
2-fluoro-6-[3-hydroxypropyl(propan-2-yl)amino]benzenecarbothioamide
CID 79512885
1-[2-[bis(prop-2-enyl)amino]-6-methoxyphenyl]ethanone
CID 113388829
3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 114230283
3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 63365326
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
CID 62030923
N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 54916342
N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113051989
3-[3-hydroxypropyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105062664
2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
CID 81420758

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone (CID 113388856) is 1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone is COc1cccc(N(CCCO)C(C)C)c1C(C)=O.
What is the InChIKey of 1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone?
The InChIKey is QXJCAWNNZQVNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)16(9-6-10-17)13-7-5-8-14(19-4)15(13)12(3)18/h5,7-8,11,17H,6,9-10H2,1-4H3.
What are the key properties of 1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone?
1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone has a molecular weight of 265.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone is sourced from PubChem (CID 113388856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).