methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate

C14H17N3O3 — CID 4284525

IUPACmethyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1
InChIInChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyMPZVHKLZCUEJFO-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.02
Rot. Bonds4

About methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate

methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate (PubChem CID 4284525) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate
PubChem CID4284525
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1
InChIInChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyMPZVHKLZCUEJFO-UHFFFAOYSA-N
XLogP2.02
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate?
The IUPAC name of methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate (CID 4284525) is methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate.
What is the SMILES notation for methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate?
The canonical SMILES for methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate is COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1.
What is the InChIKey of methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate?
The InChIKey is MPZVHKLZCUEJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate?
methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate has a molecular weight of 275.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate is sourced from PubChem (CID 4284525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).