N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide

C16H20N2O — CID 116618964

IUPACN-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide
SMILESCCc1cccc2ccn(CC(=O)N(C)C3CC3)c12
InChIInChI=1S/C16H20N2O/c1-3-12-5-4-6-13-9-10-18(16(12)13)11-15(19)17(2)14-7-8-14/h4-6,9-10,14H,3,7-8,11H2,1-2H3
InChIKeyZLRXBQJMEFJWIY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.82
Rot. Bonds4

About N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide

N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide (PubChem CID 116618964) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide
PubChem CID116618964
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide
SMILESCCc1cccc2ccn(CC(=O)N(C)C3CC3)c12
InChIInChI=1S/C16H20N2O/c1-3-12-5-4-6-13-9-10-18(16(12)13)11-15(19)17(2)14-7-8-14/h4-6,9-10,14H,3,7-8,11H2,1-2H3
InChIKeyZLRXBQJMEFJWIY-UHFFFAOYSA-N
XLogP2.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide (CID 116618964) is N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide is CCc1cccc2ccn(CC(=O)N(C)C3CC3)c12.
What is the InChIKey of N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide?
The InChIKey is ZLRXBQJMEFJWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-12-5-4-6-13-9-10-18(16(12)13)11-15(19)17(2)14-7-8-14/h4-6,9-10,14H,3,7-8,11H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide?
N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide has a molecular weight of 256.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(7-ethylindol-1-yl)-N-methylacetamide is sourced from PubChem (CID 116618964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).