methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate

C13H16N2O2 — CID 14613226

IUPACmethyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1cn(C)c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-15-9-10(7-8-14-13(16)17-2)11-5-3-4-6-12(11)15/h3-6,9H,7-8H2,1-2H3,(H,14,16)
InChIKeyYSRJHXAOJXHSPK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.08
Rot. Bonds3

About methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate

methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate (PubChem CID 14613226) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
PubChem CID14613226
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1cn(C)c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-15-9-10(7-8-14-13(16)17-2)11-5-3-4-6-12(11)15/h3-6,9H,7-8H2,1-2H3,(H,14,16)
InChIKeyYSRJHXAOJXHSPK-UHFFFAOYSA-N
XLogP2.08
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[2-(1-methylindol-3-yl)ethyl]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

2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
2-acetamido-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 11196581
N-[2-(1-methylindol-3-yl)ethyl]furan-2-carboxamide
CID 45069388
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-[2-(1-methylindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110731525
1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea
CID 110748890
N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110745123
N-ethyl-3-(1-methylindol-3-yl)propanamide
CID 167074114
2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile
CID 115131227
3-[2-(1-methylindol-3-yl)ethylamino]propan-1-ol
CID 115217042

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate (CID 14613226) is methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate is COC(=O)NCCc1cn(C)c2ccccc12.
What is the InChIKey of methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate?
The InChIKey is YSRJHXAOJXHSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15-9-10(7-8-14-13(16)17-2)11-5-3-4-6-12(11)15/h3-6,9H,7-8H2,1-2H3,(H,14,16).
What are the key properties of methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate?
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate has a molecular weight of 232.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate is sourced from PubChem (CID 14613226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).