methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate

C13H17NO3 — CID 113101472

IUPACmethyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NO3/c1-16-13(15)14-7-8-17-12-6-5-10-3-2-4-11(10)9-12/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyOTNXKOVVMOKNSV-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.91
Rot. Bonds4

About methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate

methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate (PubChem CID 113101472) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
PubChem CID113101472
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C13H17NO3/c1-16-13(15)14-7-8-17-12-6-5-10-3-2-4-11(10)9-12/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyOTNXKOVVMOKNSV-UHFFFAOYSA-N
XLogP1.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)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-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide
CID 113101431
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 9022574
3-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101536
1-tert-butyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974906
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113101463
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2-methoxyphenyl)urea
CID 112974776
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]acetamide
CID 113101452
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate (CID 113101472) is methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate is COC(=O)NCCOc1ccc2c(c1)CCC2.
What is the InChIKey of methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate?
The InChIKey is OTNXKOVVMOKNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-13(15)14-7-8-17-12-6-5-10-3-2-4-11(10)9-12/h5-6,9H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate?
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate has a molecular weight of 235.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate is sourced from PubChem (CID 113101472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).