2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide

C25H35N3O6 — CID 624265

IUPAC2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(C)N(CC(O)COc1ccc(CC(N)=O)cc1)CC(O)COc1ccc(CC(N)=O)cc1
InChIInChI=1S/C25H35N3O6/c1-17(2)28(13-20(29)15-33-22-7-3-18(4-8-22)11-24(26)31)14-21(30)16-34-23-9-5-19(6-10-23)12-25(27)32/h3-10,17,20-21,29-30H,11-16H2,1-2H3,(H2,26,31)(H2,27,32)
InChIKeySYUQLMYOHVGLTC-UHFFFAOYSA-N
MW473.57 g/mol
LogP0.63
Rot. Bonds15

About 2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide

2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 624265) has the molecular formula C25H35N3O6 and a molecular weight of 473.57 g/mol. Its IUPAC name is 2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID624265
Molecular FormulaC25H35N3O6
Molecular Weight473.57 g/mol
Exact Mass473.25
IUPAC Name2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(C)N(CC(O)COc1ccc(CC(N)=O)cc1)CC(O)COc1ccc(CC(N)=O)cc1
InChIInChI=1S/C25H35N3O6/c1-17(2)28(13-20(29)15-33-22-7-3-18(4-8-22)11-24(26)31)14-21(30)16-34-23-9-5-19(6-10-23)12-25(27)32/h3-10,17,20-21,29-30H,11-16H2,1-2H3,(H2,26,31)(H2,27,32)
InChIKeySYUQLMYOHVGLTC-UHFFFAOYSA-N
XLogP0.63
TPSA148.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide (CID 624265) is 2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide is CC(C)N(CC(O)COc1ccc(CC(N)=O)cc1)CC(O)COc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is SYUQLMYOHVGLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O6/c1-17(2)28(13-20(29)15-33-22-7-3-18(4-8-22)11-24(26)31)14-21(30)16-34-23-9-5-19(6-10-23)12-25(27)32/h3-10,17,20-21,29-30H,11-16H2,1-2H3,(H2,26,31)(H2,27,32).
What are the key properties of 2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide?
2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 473.57 g/mol, XLogP of 0.63, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 624265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).