N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide

C16H18N2O2 — CID 102910057

IUPACN-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide
SMILESCCN(C(=O)Cn1ccc2cccc(C=O)c21)C1CC1
InChIInChI=1S/C16H18N2O2/c1-2-18(14-6-7-14)15(20)10-17-9-8-12-4-3-5-13(11-19)16(12)17/h3-5,8-9,11,14H,2,6-7,10H2,1H3
InChIKeyXVWNMYVHVFRZTH-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.46
Rot. Bonds5

About N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide

N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide (PubChem CID 102910057) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide
PubChem CID102910057
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide
SMILESCCN(C(=O)Cn1ccc2cccc(C=O)c21)C1CC1
InChIInChI=1S/C16H18N2O2/c1-2-18(14-6-7-14)15(20)10-17-9-8-12-4-3-5-13(11-19)16(12)17/h3-5,8-9,11,14H,2,6-7,10H2,1H3
InChIKeyXVWNMYVHVFRZTH-UHFFFAOYSA-N
XLogP2.46
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide (CID 102910057) is N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide is CCN(C(=O)Cn1ccc2cccc(C=O)c21)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide?
The InChIKey is XVWNMYVHVFRZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-18(14-6-7-14)15(20)10-17-9-8-12-4-3-5-13(11-19)16(12)17/h3-5,8-9,11,14H,2,6-7,10H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide?
N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide has a molecular weight of 270.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-(7-formylindol-1-yl)acetamide is sourced from PubChem (CID 102910057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).