tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid

C22H21N3O4 — CID 137499299

IUPACtert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc2[nH]c(C(=O)c3cc4cc(O)ccc4[nH]3)cc2c1
InChIInChI=1S/C22H21N3O4/c1-22(2,3)25(21(28)29)14-4-6-16-12(8-14)10-18(23-16)20(27)19-11-13-9-15(26)5-7-17(13)24-19/h4-11,23-24,26H,1-3H3,(H,28,29)
InChIKeyGMKXEMNRAMZHIN-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.87
Rot. Bonds3

About tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid

tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid (PubChem CID 137499299) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid
PubChem CID137499299
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Nametert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc2[nH]c(C(=O)c3cc4cc(O)ccc4[nH]3)cc2c1
InChIInChI=1S/C22H21N3O4/c1-22(2,3)25(21(28)29)14-4-6-16-12(8-14)10-18(23-16)20(27)19-11-13-9-15(26)5-7-17(13)24-19/h4-11,23-24,26H,1-3H3,(H,28,29)
InChIKeyGMKXEMNRAMZHIN-UHFFFAOYSA-N
XLogP4.87
TPSA109.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-hydroxy-1H-indol-2-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 11666441
(7-ethyl-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone
CID 11616461
2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid
CID 110835789
5-hydroxy-1H-indole-2-carbohydrazide
CID 10877952
3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195358
tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid
CID 54066906
tert-butyl-(5-hydroxy-3-pyridinyl)carbamic acid
CID 67067096
(5-amino-1,6-dihydrocyclohepta[b]pyrrol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone
CID 170153111
N-(4-hydroxyphenyl)-N-methyl-1H-indole-2-carboxamide
CID 28739354
tert-butyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamic acid
CID 71651153
1H-indole-2,5-diol
CID 45082883
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid?
The IUPAC name of tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid (CID 137499299) is tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid is CC(C)(C)N(C(=O)O)c1ccc2[nH]c(C(=O)c3cc4cc(O)ccc4[nH]3)cc2c1.
What is the InChIKey of tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid?
The InChIKey is GMKXEMNRAMZHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-22(2,3)25(21(28)29)14-4-6-16-12(8-14)10-18(23-16)20(27)19-11-13-9-15(26)5-7-17(13)24-19/h4-11,23-24,26H,1-3H3,(H,28,29).
What are the key properties of tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid?
tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid has a molecular weight of 391.43 g/mol, XLogP of 4.87, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(5-hydroxy-1H-indole-2-carbonyl)-1H-indol-5-yl]carbamic acid is sourced from PubChem (CID 137499299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).