3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide

C17H28N2O5 — CID 91518700

IUPAC3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCOc1ccccc1OCC(O)CNC(CC(N)=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O5/c1-17(2,3)24-16(9-15(18)21)19-10-12(20)11-23-14-8-6-5-7-13(14)22-4/h5-8,12,16,19-20H,9-11H2,1-4H3,(H2,18,21)
InChIKeyKIGAMYXJAGDQKG-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.04
Rot. Bonds10

About 3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide

3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 91518700) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID91518700
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Name3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCOc1ccccc1OCC(O)CNC(CC(N)=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O5/c1-17(2,3)24-16(9-15(18)21)19-10-12(20)11-23-14-8-6-5-7-13(14)22-4/h5-8,12,16,19-20H,9-11H2,1-4H3,(H2,18,21)
InChIKeyKIGAMYXJAGDQKG-UHFFFAOYSA-N
XLogP1.04
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-methylbutanamide
CID 103914023
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
N-benzhydryl-2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N,2-dimethylpropanamide;hydrochloride
CID 67865663
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
[4-[[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-2-methylpropyl]amino]-4-oxobutan-2-yl] nitrate
CID 70399450
N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
CID 800926
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid
CID 54242139

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of 3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide (CID 91518700) is 3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for 3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for 3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide is COc1ccccc1OCC(O)CNC(CC(N)=O)OC(C)(C)C.
What is the InChIKey of 3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is KIGAMYXJAGDQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-17(2,3)24-16(9-15(18)21)19-10-12(20)11-23-14-8-6-5-7-13(14)22-4/h5-8,12,16,19-20H,9-11H2,1-4H3,(H2,18,21).
What are the key properties of 3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide?
3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 340.42 g/mol, XLogP of 1.04, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 91518700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).