2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile

C22H25N3O2 — CID 21325148

IUPAC2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile
SMILESCC(C)(Cc1c[nH]c2ccccc12)NCC(O)c1ccc(O)c(CC#N)c1
InChIInChI=1S/C22H25N3O2/c1-22(2,12-17-13-24-19-6-4-3-5-18(17)19)25-14-21(27)15-7-8-20(26)16(11-15)9-10-23/h3-8,11,13,21,24-27H,9,12,14H2,1-2H3
InChIKeyZLXBPFOAVNMJGR-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.58
Rot. Bonds7

About 2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile

2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile (PubChem CID 21325148) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile
PubChem CID21325148
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile
SMILESCC(C)(Cc1c[nH]c2ccccc12)NCC(O)c1ccc(O)c(CC#N)c1
InChIInChI=1S/C22H25N3O2/c1-22(2,12-17-13-24-19-6-4-3-5-18(17)19)25-14-21(27)15-7-8-20(26)16(11-15)9-10-23/h3-8,11,13,21,24-27H,9,12,14H2,1-2H3
InChIKeyZLXBPFOAVNMJGR-UHFFFAOYSA-N
XLogP3.58
TPSA92.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile with MolForge

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Related Compounds

(1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol
CID 15137754
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol
CID 12619618
2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]pyridine-3-carbonitrile
CID 154094807
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 23330538
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(2-methylsulfanylphenoxy)propan-2-ol
CID 12619640
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol
CID 70500153
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 12619630
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 113086281
N-[2-hydroxy-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]phenyl]methanesulfonamide
CID 139699356
2-[[(2R)-2-(3-fluoro-1H-indol-5-yl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 167168929
1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol
CID 11163954
[1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid
CID 150605299

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile?
The IUPAC name of 2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile (CID 21325148) is 2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile?
The canonical SMILES for 2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile is CC(C)(Cc1c[nH]c2ccccc12)NCC(O)c1ccc(O)c(CC#N)c1.
What is the InChIKey of 2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile?
The InChIKey is ZLXBPFOAVNMJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(2,12-17-13-24-19-6-4-3-5-18(17)19)25-14-21(27)15-7-8-20(26)16(11-15)9-10-23/h3-8,11,13,21,24-27H,9,12,14H2,1-2H3.
What are the key properties of 2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile?
2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile has a molecular weight of 363.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile is sourced from PubChem (CID 21325148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).