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

C14H20N4O2 — CID 63235838

IUPAC3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide
SMILESNCCC1CN(CCC(=O)NC(N)=O)c2ccccc21
InChIInChI=1S/C14H20N4O2/c15-7-5-10-9-18(8-6-13(19)17-14(16)20)12-4-2-1-3-11(10)12/h1-4,10H,5-9,15H2,(H3,16,17,19,20)
InChIKeyQKUZRCBPJOVOBC-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.52
Rot. Bonds5

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

3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide (PubChem CID 63235838) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide
PubChem CID63235838
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide
SMILESNCCC1CN(CCC(=O)NC(N)=O)c2ccccc21
InChIInChI=1S/C14H20N4O2/c15-7-5-10-9-18(8-6-13(19)17-14(16)20)12-4-2-1-3-11(10)12/h1-4,10H,5-9,15H2,(H3,16,17,19,20)
InChIKeyQKUZRCBPJOVOBC-UHFFFAOYSA-N
XLogP0.52
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
CID 63235622
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetic acid
CID 63235664
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 63235972
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(cyanomethyl)acetamide
CID 63236008
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methylpropyl)acetamide
CID 63236015
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63235746
2-[1-(2-methoxyethyl)-2,3-dihydroindol-3-yl]ethanamine
CID 63235883
propan-2-yl 2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]acetate
CID 63235879
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylpropanoic acid
CID 79619646
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(2-methoxyethyl)acetamide
CID 63236099
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 63235305
4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2,2-dimethylbutanenitrile
CID 65251141

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide?
The IUPAC name of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide (CID 63235838) is 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide.
What is the SMILES notation for 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide?
The canonical SMILES for 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide is NCCC1CN(CCC(=O)NC(N)=O)c2ccccc21.
What is the InChIKey of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide?
The InChIKey is QKUZRCBPJOVOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-7-5-10-9-18(8-6-13(19)17-14(16)20)12-4-2-1-3-11(10)12/h1-4,10H,5-9,15H2,(H3,16,17,19,20).
What are the key properties of 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide?
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide is sourced from PubChem (CID 63235838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).