3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide

C14H21N3O — CID 114456373

IUPAC3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCc2cccc(N)c21
InChIInChI=1S/C14H21N3O/c1-10(2)16-13(18)7-9-17-8-6-11-4-3-5-12(15)14(11)17/h3-5,10H,6-9,15H2,1-2H3,(H,16,18)
InChIKeyHZNXTWSIIBMBRA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.55
Rot. Bonds4

About 3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide

3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 114456373) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
PubChem CID114456373
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCc2cccc(N)c21
InChIInChI=1S/C14H21N3O/c1-10(2)16-13(18)7-9-17-8-6-11-4-3-5-12(15)14(11)17/h3-5,10H,6-9,15H2,1-2H3,(H,16,18)
InChIKeyHZNXTWSIIBMBRA-UHFFFAOYSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate
CID 114456156
3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
CID 114456211
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-methylacetamide
CID 114456417
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide
CID 61357996
3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 114456468
1-nonyl-2,3-dihydroindol-7-amine
CID 114456337
6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol
CID 107705678
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide
CID 61489791
ethyl 3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 114456149
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
CID 114456285

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide (CID 114456373) is 3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1CCc2cccc(N)c21.
What is the InChIKey of 3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is HZNXTWSIIBMBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)16-13(18)7-9-17-8-6-11-4-3-5-12(15)14(11)17/h3-5,10H,6-9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide?
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 114456373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).