methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate

C16H15N3O3 — CID 155908069

IUPACmethyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate
SMILESCOC(=O)NNc1ccc(-c2c[nH]c3ccc(O)cc23)cc1
InChIInChI=1S/C16H15N3O3/c1-22-16(21)19-18-11-4-2-10(3-5-11)14-9-17-15-7-6-12(20)8-13(14)15/h2-9,17-18,20H,1H3,(H,19,21)
InChIKeyAZFSMHZGFKQTOQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.22
Rot. Bonds3

About methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate

methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate (PubChem CID 155908069) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate
PubChem CID155908069
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Namemethyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate
SMILESCOC(=O)NNc1ccc(-c2c[nH]c3ccc(O)cc23)cc1
InChIInChI=1S/C16H15N3O3/c1-22-16(21)19-18-11-4-2-10(3-5-11)14-9-17-15-7-6-12(20)8-13(14)15/h2-9,17-18,20H,1H3,(H,19,21)
InChIKeyAZFSMHZGFKQTOQ-UHFFFAOYSA-N
XLogP3.22
TPSA86.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate
CID 57443275
3-(5-hydroxy-1H-indol-3-yl)-1H-indole-5-carbaldehyde
CID 89275643
7-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 71356875
3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid
CID 59364245
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
CID 66819072
methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 136985897
3-phenyl-5-(sulfinoamino)-1H-indole
CID 123162059
4-[3-(3,4-dihydroxyphenyl)-1H-indol-5-yl]benzene-1,2-diol
CID 73426325
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-indol-5-ol
CID 58797909
3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid
CID 59364271
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-(methylamino)propanoate;hydrochloride
CID 69317062

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate?
The IUPAC name of methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate (CID 155908069) is methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate.
What is the SMILES notation for methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate?
The canonical SMILES for methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate is COC(=O)NNc1ccc(-c2c[nH]c3ccc(O)cc23)cc1.
What is the InChIKey of methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate?
The InChIKey is AZFSMHZGFKQTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-16(21)19-18-11-4-2-10(3-5-11)14-9-17-15-7-6-12(20)8-13(14)15/h2-9,17-18,20H,1H3,(H,19,21).
What are the key properties of methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate?
methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate has a molecular weight of 297.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(5-hydroxy-1H-indol-3-yl)anilino]carbamate is sourced from PubChem (CID 155908069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).