2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide

C15H22N4O2 — CID 63235972

IUPAC2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C15H22N4O2/c1-2-17-15(21)18-14(20)10-19-9-11(7-8-16)12-5-3-4-6-13(12)19/h3-6,11H,2,7-10,16H2,1H3,(H2,17,18,20,21)
InChIKeyNSWBIIRQUQNMRM-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.78
Rot. Bonds5

About 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide

2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide (PubChem CID 63235972) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide
PubChem CID63235972
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CC(CCN)c2ccccc21
InChIInChI=1S/C15H22N4O2/c1-2-17-15(21)18-14(20)10-19-9-11(7-8-16)12-5-3-4-6-13(12)19/h3-6,11H,2,7-10,16H2,1H3,(H2,17,18,20,21)
InChIKeyNSWBIIRQUQNMRM-UHFFFAOYSA-N
XLogP0.78
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide (CID 63235972) is 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN1CC(CCN)c2ccccc21.
What is the InChIKey of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide?
The InChIKey is NSWBIIRQUQNMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-17-15(21)18-14(20)10-19-9-11(7-8-16)12-5-3-4-6-13(12)19/h3-6,11H,2,7-10,16H2,1H3,(H2,17,18,20,21).
What are the key properties of 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide?
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 63235972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).