[4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone

C23H32N2O5 — CID 21325578

IUPAC[4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone
SMILESCC(O)CN(CC(C)O)c1ccc(C(=O)c2ccc(N(CCO)CCO)cc2)cc1
InChIInChI=1S/C23H32N2O5/c1-17(28)15-25(16-18(2)29)22-9-5-20(6-10-22)23(30)19-3-7-21(8-4-19)24(11-13-26)12-14-27/h3-10,17-18,26-29H,11-16H2,1-2H3
InChIKeyVUXQKFYECAOXNE-UHFFFAOYSA-N
MW416.52 g/mol
LogP1.28
Rot. Bonds12

About [4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone

[4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone (PubChem CID 21325578) has the molecular formula C23H32N2O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is [4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone.

Molecular Properties

Compound Name[4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone
PubChem CID21325578
Molecular FormulaC23H32N2O5
Molecular Weight416.52 g/mol
Exact Mass416.23
IUPAC Name[4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone
SMILESCC(O)CN(CC(C)O)c1ccc(C(=O)c2ccc(N(CCO)CCO)cc2)cc1
InChIInChI=1S/C23H32N2O5/c1-17(28)15-25(16-18(2)29)22-9-5-20(6-10-22)23(30)19-3-7-21(8-4-19)24(11-13-26)12-14-27/h3-10,17-18,26-29H,11-16H2,1-2H3
InChIKeyVUXQKFYECAOXNE-UHFFFAOYSA-N
XLogP1.28
TPSA104.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[bis(2-hydroxyethyl)amino]phenyl]-(4-chlorophenyl)methanone
CID 138706407
2-benzoyl-N,N-bis(2-hydroxyethyl)benzamide;[4-[3-[bis(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone;[4-[bis(2-hydroxypropyl)amino]phenyl]-phenylmethanone
CID 160847894
methyl 4-[bis(2-hydroxyethyl)amino]benzoate
CID 14650314
1-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 69093819
2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
CID 22327727
4-[bis(4-hydroxypentyl)amino]benzoic acid
CID 22994623
1-[4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216748
[4-[bis(2-hydroxyethyl)amino]phenyl]-phenylmethanone;(4-fluorophenyl)-phenylmethanone;2-(2-hydroxyethylamino)ethanol
CID 160919172
4-[2,3-dihydroxybutyl(3-hydroxypropyl)amino]benzoic acid
CID 22994624
3-[N-(2-hydroxypropyl)-4-methylanilino]propanoic acid
CID 60886015
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
2-[4-[bis(2-hydroxyethyl)amino]phenyl]sulfanylpropanoate
CID 57355889

Frequently Asked Questions

What is the IUPAC name of [4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone?
The IUPAC name of [4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone (CID 21325578) is [4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone.
What is the SMILES notation for [4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone?
The canonical SMILES for [4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone is CC(O)CN(CC(C)O)c1ccc(C(=O)c2ccc(N(CCO)CCO)cc2)cc1.
What is the InChIKey of [4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone?
The InChIKey is VUXQKFYECAOXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5/c1-17(28)15-25(16-18(2)29)22-9-5-20(6-10-22)23(30)19-3-7-21(8-4-19)24(11-13-26)12-14-27/h3-10,17-18,26-29H,11-16H2,1-2H3.
What are the key properties of [4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone?
[4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone has a molecular weight of 416.52 g/mol, XLogP of 1.28, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(2-hydroxyethyl)amino]phenyl]-[4-[bis(2-hydroxypropyl)amino]phenyl]methanone is sourced from PubChem (CID 21325578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).