2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide

C17H28N2O3 — CID 59432769

IUPAC2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(C)N(CC(O)COc1ccc(CC(N)=O)cc1)C(C)C
InChIInChI=1S/C17H28N2O3/c1-12(2)19(13(3)4)10-15(20)11-22-16-7-5-14(6-8-16)9-17(18)21/h5-8,12-13,15,20H,9-11H2,1-4H3,(H2,18,21)
InChIKeyXVNUFANOHYGYOJ-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.57
Rot. Bonds9

About 2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide

2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 59432769) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID59432769
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(C)N(CC(O)COc1ccc(CC(N)=O)cc1)C(C)C
InChIInChI=1S/C17H28N2O3/c1-12(2)19(13(3)4)10-15(20)11-22-16-7-5-14(6-8-16)9-17(18)21/h5-8,12-13,15,20H,9-11H2,1-4H3,(H2,18,21)
InChIKeyXVNUFANOHYGYOJ-UHFFFAOYSA-N
XLogP1.57
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide
CID 572441
2-[4-[3-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl(nitroso)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 172990456
2-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]amino]propyl hydrogen sulfate
CID 139595490
(2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide
CID 110027696
2-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]acetamide
CID 7100169
2-[4-[2-oxo-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 86150201
1-[4-(2-hydroxybutoxy)phenyl]-3-[4-(2-methylbutoxy)phenyl]propan-2-one
CID 170386830
N-[2-hydroxy-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propyl]-N-propan-2-ylacetamide
CID 23471070
1-fluoro-3-[4-[[4-(2-hydroxypropoxy)phenyl]methyl]phenoxy]propan-2-ol
CID 159194222
2-[4-(2-hydroxypropyl)phenoxy]acetamide
CID 115495800
ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate
CID 95762944
[1-[di(propan-2-yl)amino]-3-phenoxypropan-2-yl] 2-phenylacetate
CID 117068716

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide (CID 59432769) is 2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide is CC(C)N(CC(O)COc1ccc(CC(N)=O)cc1)C(C)C.
What is the InChIKey of 2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is XVNUFANOHYGYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12(2)19(13(3)4)10-15(20)11-22-16-7-5-14(6-8-16)9-17(18)21/h5-8,12-13,15,20H,9-11H2,1-4H3,(H2,18,21).
What are the key properties of 2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide?
2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 308.42 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 59432769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).