2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide

C19H24N2O4 — CID 12814789

IUPAC2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide
SMILESCC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C19H24N2O4/c1-12(2-3-13-4-7-15(22)8-5-13)21-11-18(24)14-6-9-17(23)16(10-14)19(20)25/h4-10,12,18,21-24H,2-3,11H2,1H3,(H2,20,25)
InChIKeyOWDODYNOSWQAGH-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.84
Rot. Bonds8

About 2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide

2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide (PubChem CID 12814789) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide
PubChem CID12814789
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide
SMILESCC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C19H24N2O4/c1-12(2-3-13-4-7-15(22)8-5-13)21-11-18(24)14-6-9-17(23)16(10-14)19(20)25/h4-10,12,18,21-24H,2-3,11H2,1H3,(H2,20,25)
InChIKeyOWDODYNOSWQAGH-UHFFFAOYSA-N
XLogP1.84
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide?
The IUPAC name of 2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide (CID 12814789) is 2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide?
The canonical SMILES for 2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide is CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)c(C(N)=O)c1.
What is the InChIKey of 2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide?
The InChIKey is OWDODYNOSWQAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(2-3-13-4-7-15(22)8-5-13)21-11-18(24)14-6-9-17(23)16(10-14)19(20)25/h4-10,12,18,21-24H,2-3,11H2,1H3,(H2,20,25).
What are the key properties of 2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide?
2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide has a molecular weight of 344.41 g/mol, XLogP of 1.84, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[1-hydroxy-2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzamide is sourced from PubChem (CID 12814789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).