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

C19H20N2O2 — CID 135031870

IUPACmethyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-23-19(22)20-12-11-16-14-21(13-15-7-3-2-4-8-15)18-10-6-5-9-17(16)18/h2-10,14H,11-13H2,1H3,(H,20,22)
InChIKeyBLADIBNFOFVCPC-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.59
Rot. Bonds5

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

methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate (PubChem CID 135031870) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
PubChem CID135031870
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Namemethyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-23-19(22)20-12-11-16-14-21(13-15-7-3-2-4-8-15)18-10-6-5-9-17(16)18/h2-10,14H,11-13H2,1H3,(H,20,22)
InChIKeyBLADIBNFOFVCPC-UHFFFAOYSA-N
XLogP3.59
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[2-(1-benzylindol-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

methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
4-(benzenesulfinyl)-N-[2-(1-benzylindol-3-yl)ethyl]butanamide
CID 15550783
methyl 2-amino-3-(1-benzylindol-3-yl)propanoate
CID 14659443
methyl 5-[2-(1-benzylindol-3-yl)ethylamino]-1,3,4-oxadiazole-2-carboxylate
CID 46188080
4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide
CID 176898102
2-(1-benzylindol-3-yl)ethanol
CID 13134935
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide
CID 102296524
3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 5059595
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate (CID 135031870) is methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate is COC(=O)NCCc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate?
The InChIKey is BLADIBNFOFVCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-23-19(22)20-12-11-16-14-21(13-15-7-3-2-4-8-15)18-10-6-5-9-17(16)18/h2-10,14H,11-13H2,1H3,(H,20,22).
What are the key properties of methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate?
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate is sourced from PubChem (CID 135031870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).