(3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate

C14H16N2O3 — CID 71536274

IUPAC(3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cccc2c1c(C=O)cn2C
InChIInChI=1S/C14H16N2O3/c1-4-15(2)14(18)19-12-7-5-6-11-13(12)10(9-17)8-16(11)3/h5-9H,4H2,1-3H3
InChIKeySMTYOXSORINLTB-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.44
Rot. Bonds3

About (3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate

(3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate (PubChem CID 71536274) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name(3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate
PubChem CID71536274
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cccc2c1c(C=O)cn2C
InChIInChI=1S/C14H16N2O3/c1-4-15(2)14(18)19-12-7-5-6-11-13(12)10(9-17)8-16(11)3/h5-9H,4H2,1-3H3
InChIKeySMTYOXSORINLTB-UHFFFAOYSA-N
XLogP2.44
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate 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

4-(2,3-dichlorophenoxy)-1-methylindole-3-carbaldehyde
CID 87204536
(2-fluorophenyl) N-ethyl-N-methylcarbamate
CID 171662509
1-methyl-4-(2-pyridin-2-ylethoxy)indole-3-carbaldehyde
CID 59805785
(1-methylindol-4-yl) N-butyl-N-methylcarbamate
CID 71536003
ethyl 3-[4-(4-chloro-3-fluorophenoxy)-1-methylindol-3-yl]prop-2-enoate
CID 66917796
2-(3-formyl-4-phenylmethoxyindol-1-yl)-N-methyl-N-(2-phenylethyl)acetamide
CID 10741107
4-amino-5-methoxy-1-methylindole-3-carbaldehyde;ethanol;5-methoxy-1-methyl-4-nitroindole-3-carbaldehyde
CID 159830125
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-3-carbaldehyde
CID 170646066
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide
CID 107697615
2-aminoacetic acid;1-methylindole-3-carbaldehyde
CID 23295599
N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 2005573

Frequently Asked Questions

What is the IUPAC name of (3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate?
The IUPAC name of (3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate (CID 71536274) is (3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate.
What is the SMILES notation for (3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate?
The canonical SMILES for (3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1cccc2c1c(C=O)cn2C.
What is the InChIKey of (3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate?
The InChIKey is SMTYOXSORINLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-15(2)14(18)19-12-7-5-6-11-13(12)10(9-17)8-16(11)3/h5-9H,4H2,1-3H3.
What are the key properties of (3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate?
(3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate has a molecular weight of 260.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formyl-1-methylindol-4-yl) N-ethyl-N-methylcarbamate is sourced from PubChem (CID 71536274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).