1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one

C14H21NO4 — CID 69093819

IUPAC1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C14H21NO4/c1-14(2,19)13(18)11-3-5-12(6-4-11)15(7-9-16)8-10-17/h3-6,16-17,19H,7-10H2,1-2H3
InChIKeyJRCYKXHYVVOUPV-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.43
Rot. Bonds7

About 1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one

1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 69093819) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one
PubChem CID69093819
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C14H21NO4/c1-14(2,19)13(18)11-3-5-12(6-4-11)15(7-9-16)8-10-17/h3-6,16-17,19H,7-10H2,1-2H3
InChIKeyJRCYKXHYVVOUPV-UHFFFAOYSA-N
XLogP0.43
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one with MolForge

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Related Compounds

methyl 4-[bis(2-hydroxyethyl)amino]benzoate
CID 14650314
1-[4-[[ethyl(2-hydroxyethyl)amino]-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69034883
[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone
CID 138706407
1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216748
1-[4-[[butyl(2-hydroxyethyl)amino]-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69040052
[4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone
CID 21325578
2-hydroxy-1-[4-[2-[2-hydroxyethyl(methyl)amino]ethoxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
CID 69039591
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
tert-butyl 2-[4-[bis(2-hydroxyethyl)amino]phenyl]acetate
CID 10756299
2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 68738644
tert-butyl (2E,4E)-5-[4-[bis(2-hydroxyethyl)amino]phenyl]-4-methylpenta-2,4-dienoate
CID 88863013
4-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]benzoic acid;(Z)-2-chlorobut-2-ene;formaldehyde
CID 162438601

Frequently Asked Questions

What is the IUPAC name of 1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one (CID 69093819) is 1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one is CC(C)(O)C(=O)c1ccc(N(CCO)CCO)cc1.
What is the InChIKey of 1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is JRCYKXHYVVOUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,19)13(18)11-3-5-12(6-4-11)15(7-9-16)8-10-17/h3-6,16-17,19H,7-10H2,1-2H3.
What are the key properties of 1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one?
1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 267.32 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 69093819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).