2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide

C14H20N4O2 — CID 114456658

IUPAC2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCc2cccc(N)c21
InChIInChI=1S/C14H20N4O2/c1-2-7-16-14(20)17-12(19)9-18-8-6-10-4-3-5-11(15)13(10)18/h3-5H,2,6-9,15H2,1H3,(H2,16,17,19,20)
InChIKeyFMORKLFUDLIUPA-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.87
Rot. Bonds4

About 2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide

2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide (PubChem CID 114456658) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide
PubChem CID114456658
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCc2cccc(N)c21
InChIInChI=1S/C14H20N4O2/c1-2-7-16-14(20)17-12(19)9-18-8-6-10-4-3-5-11(15)13(10)18/h3-5H,2,6-9,15H2,1H3,(H2,16,17,19,20)
InChIKeyFMORKLFUDLIUPA-UHFFFAOYSA-N
XLogP0.87
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
CID 114456417
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(propylcarbamoyl)acetamide
CID 61013825
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide
CID 61485896
methyl 4-[[2-(7-amino-2,3-dihydroindol-1-yl)acetyl]amino]butanoate
CID 114456249
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
CID 61358971
2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide
CID 114456671
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide
CID 61489791
2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 114456579
2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 114456129
1-nonyl-2,3-dihydroindol-7-amine
CID 114456337
ethyl 3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 114456149

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide (CID 114456658) is 2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1CCc2cccc(N)c21.
What is the InChIKey of 2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide?
The InChIKey is FMORKLFUDLIUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-7-16-14(20)17-12(19)9-18-8-6-10-4-3-5-11(15)13(10)18/h3-5H,2,6-9,15H2,1H3,(H2,16,17,19,20).
What are the key properties of 2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide?
2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 114456658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).