tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate

C15H19N3O4 — CID 71885448

IUPACtert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate
SMILESCOc1ccc2cc(C(=O)NNC(=O)OC(C)(C)C)[nH]c2c1
InChIInChI=1S/C15H19N3O4/c1-15(2,3)22-14(20)18-17-13(19)12-7-9-5-6-10(21-4)8-11(9)16-12/h5-8,16H,1-4H3,(H,17,19)(H,18,20)
InChIKeyVFJSKQHEVSUMLT-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.35
Rot. Bonds2

About tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate

tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate (PubChem CID 71885448) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate
PubChem CID71885448
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Nametert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate
SMILESCOc1ccc2cc(C(=O)NNC(=O)OC(C)(C)C)[nH]c2c1
InChIInChI=1S/C15H19N3O4/c1-15(2,3)22-14(20)18-17-13(19)12-7-9-5-6-10(21-4)8-11(9)16-12/h5-8,16H,1-4H3,(H,17,19)(H,18,20)
InChIKeyVFJSKQHEVSUMLT-UHFFFAOYSA-N
XLogP2.35
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate 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

N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methoxy-1H-indole-2-carbohydrazide
CID 46445779
tert-butyl N-ethyl-N-[[2-[(6-methoxy-1H-indole-2-carbonyl)amino]phenyl]methyl]carbamate
CID 60557768
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 110833539
benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate
CID 38424752
6-methoxy-N'-[2-(2-phenylphenoxy)acetyl]-1H-indole-2-carbohydrazide
CID 46445650
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
6-methoxy-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-2-carboxamide
CID 47155094
N-[1-(2,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-2-carboxamide
CID 71897962

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate (CID 71885448) is tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate is COc1ccc2cc(C(=O)NNC(=O)OC(C)(C)C)[nH]c2c1.
What is the InChIKey of tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate?
The InChIKey is VFJSKQHEVSUMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-15(2,3)22-14(20)18-17-13(19)12-7-9-5-6-10(21-4)8-11(9)16-12/h5-8,16H,1-4H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate?
tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate has a molecular weight of 305.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-methoxy-1H-indole-2-carbonyl)amino]carbamate is sourced from PubChem (CID 71885448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).