5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide

C19H23N3O — CID 120642594

IUPAC5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C19H23N3O/c1-14-7-8-16(20)13-17(14)19(23)21-10-4-11-22-12-9-15-5-2-3-6-18(15)22/h2-3,5-8,13H,4,9-12,20H2,1H3,(H,21,23)
InChIKeyCDZHKMMBCMUPMA-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.76
Rot. Bonds5

About 5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide

5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide (PubChem CID 120642594) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide
PubChem CID120642594
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C19H23N3O/c1-14-7-8-16(20)13-17(14)19(23)21-10-4-11-22-12-9-15-5-2-3-6-18(15)22/h2-3,5-8,13H,4,9-12,20H2,1H3,(H,21,23)
InChIKeyCDZHKMMBCMUPMA-UHFFFAOYSA-N
XLogP2.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
5-amino-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide;trihydrochloride
CID 120647882
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700
N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 74248010
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636355

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide (CID 120642594) is 5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NCCCN1CCc2ccccc21.
What is the InChIKey of 5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide?
The InChIKey is CDZHKMMBCMUPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-7-8-16(20)13-17(14)19(23)21-10-4-11-22-12-9-15-5-2-3-6-18(15)22/h2-3,5-8,13H,4,9-12,20H2,1H3,(H,21,23).
What are the key properties of 5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide?
5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide has a molecular weight of 309.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide is sourced from PubChem (CID 120642594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).