2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide

C14H22N2O3 — CID 2249

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IUPAC2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
SMILESCC(C)NCC(O)COc1ccc(CC(N)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKeyMETKIMKYRPQLGS-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.45
Rot. Bonds8

About 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide

2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide (PubChem CID 2249) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
PubChem CID2249
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
SMILESCC(C)NCC(O)COc1ccc(CC(N)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKeyMETKIMKYRPQLGS-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

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CID 2119
Metoprolol
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Esmolol Hydrochloride
CID 104769
Betaxolol
CID 2369
Esmolol
CID 59768
Betaxolol Hydrochloride
CID 107952
Toliprolol
CID 18047
Alprenolol Hydrochloride
CID 66368
Esatenolol
CID 175540
Levobetaxolol
CID 60657
Metoprolol Acid
CID 62936
O-Demethylmetoprolol
CID 162181

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide (CID 2249) is 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide is CC(C)NCC(O)COc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide?
The InChIKey is METKIMKYRPQLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18).
What are the key properties of 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide?
2-[4-[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-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide is sourced from PubChem (CID 2249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).