2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide

C14H22N2O3 — CID 21397664

IUPAC2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
SMILESCC(C)NCC(O)COc1ccccc1CC(N)=O
InChIInChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-6-4-3-5-11(13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKeyXIEAYYJEFZMMKY-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.45
Rot. Bonds8

About 2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide

2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide (PubChem CID 21397664) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
PubChem CID21397664
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
SMILESCC(C)NCC(O)COc1ccccc1CC(N)=O
InChIInChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-6-4-3-5-11(13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKeyXIEAYYJEFZMMKY-UHFFFAOYSA-N
XLogP0.45
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
CID 21253509
1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 14029276
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 21124908
1-[2-(2-methoxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 23471036
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 21124907
1-[2-(2,3-dibromopropyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 11329315
2,3-dihydroxybutanedioic acid;1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 66615141
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
2-[2-(4,4,4-trifluoro-2-hydroxybutoxy)phenyl]acetamide
CID 167900172
[2-[[[2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetyl]amino]methyl]cyclohexyl] nitrate
CID 70351672
1-[2-[(6-hydrazinylpyridazin-3-yl)sulfanylmethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 70560397

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide?
The IUPAC name of 2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide (CID 21397664) is 2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide.
What is the SMILES notation for 2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide?
The canonical SMILES for 2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide is CC(C)NCC(O)COc1ccccc1CC(N)=O.
What is the InChIKey of 2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide?
The InChIKey is XIEAYYJEFZMMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-6-4-3-5-11(13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18).
What are the key properties of 2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide?
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide is sourced from PubChem (CID 21397664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).