1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

C15H23NO5 — CID 16807424

IUPAC1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC(O)CN(CCO)CCO
InChIInChI=1S/C15H23NO5/c1-12(19)14-4-2-3-5-15(14)21-11-13(20)10-16(6-8-17)7-9-18/h2-5,13,17-18,20H,6-11H2,1H3
InChIKeyUANTYFAWWZEVRP-UHFFFAOYSA-N
MW297.35 g/mol
LogP-0.08
Rot. Bonds10

About 1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone (PubChem CID 16807424) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
PubChem CID16807424
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCC(O)CN(CCO)CCO
InChIInChI=1S/C15H23NO5/c1-12(19)14-4-2-3-5-15(14)21-11-13(20)10-16(6-8-17)7-9-18/h2-5,13,17-18,20H,6-11H2,1H3
InChIKeyUANTYFAWWZEVRP-UHFFFAOYSA-N
XLogP-0.08
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 61244457
[(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium
CID 2142702
2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride
CID 53351492
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993
1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone
CID 115613776
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 16806866
(2S)-1-[bis(2-hydroxyethyl)amino]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2046985
1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone
CID 82037382
1-[4-[3-[benzyl(2-hydroxyethyl)amino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 4834526
1-[4-[(2R)-3-[benzyl(2-hydroxyethyl)amino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 2577019

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone (CID 16807424) is 1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone is CC(=O)c1ccccc1OCC(O)CN(CCO)CCO.
What is the InChIKey of 1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone?
The InChIKey is UANTYFAWWZEVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-12(19)14-4-2-3-5-15(14)21-11-13(20)10-16(6-8-17)7-9-18/h2-5,13,17-18,20H,6-11H2,1H3.
What are the key properties of 1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone?
1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone has a molecular weight of 297.35 g/mol, XLogP of -0.08, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone is sourced from PubChem (CID 16807424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).