[1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid

C21H25N3O3 — CID 150605299

IUPAC[1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid
SMILESCC(CNCC(O)c1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)O
InChIInChI=1S/C21H25N3O3/c1-21(24-20(26)27,11-16-12-23-18-10-6-5-9-17(16)18)14-22-13-19(25)15-7-3-2-4-8-15/h2-10,12,19,22-25H,11,13-14H2,1H3,(H,26,27)
InChIKeyISSZCZOKZVSTMB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.06
Rot. Bonds8

About [1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid

[1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid (PubChem CID 150605299) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is [1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid
PubChem CID150605299
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name[1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid
SMILESCC(CNCC(O)c1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)O
InChIInChI=1S/C21H25N3O3/c1-21(24-20(26)27,11-16-12-23-18-10-6-5-9-17(16)18)14-22-13-19(25)15-7-3-2-4-8-15/h2-10,12,19,22-25H,11,13-14H2,1H3,(H,26,27)
InChIKeyISSZCZOKZVSTMB-UHFFFAOYSA-N
XLogP3.06
TPSA97.38 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Analyze [1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid with MolForge

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Related Compounds

N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 113086281
decan-2-yl N-[1-[(1,3-dihydroxy-1-phenylpropan-2-yl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamate
CID 19384641
[2-carboxy-1-(1H-indol-3-yl)propan-2-yl]-trimethylazanium
CID 91357862
[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] carbamate
CID 67811308
(2R)-2-(ethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 10017089
[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl]amino]propan-2-yl]carbamic acid
CID 67684517
methyl 3-(1H-indol-3-yl)-2-phenylpropanoate
CID 134951107
benzene;2-(dimethylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 174391418
2-formamido-2-(1H-indol-3-ylmethyl)propanedioic acid
CID 131861754
N-(1-amino-2-methylpropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 55163528
diethyl 2-(1H-indol-3-ylmethyl)-2-methylpropanedioate
CID 12724509
methyl (2S)-2-amino-3-(1H-indol-3-yl)-2-(111C)methylpropanoate
CID 14066612

Frequently Asked Questions

What is the IUPAC name of [1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid (CID 150605299) is [1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid is CC(CNCC(O)c1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)O.
What is the InChIKey of [1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid?
The InChIKey is ISSZCZOKZVSTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-21(24-20(26)27,11-16-12-23-18-10-6-5-9-17(16)18)14-22-13-19(25)15-7-3-2-4-8-15/h2-10,12,19,22-25H,11,13-14H2,1H3,(H,26,27).
What are the key properties of [1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid?
[1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid has a molecular weight of 367.45 g/mol, XLogP of 3.06, 8 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 150605299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).