N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

C23H28N2O2 — CID 100555755

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESO=C(COc1cccc2c1CCCC2)NCCCN1CCc2ccccc21
InChIInChI=1S/C23H28N2O2/c26-23(17-27-22-12-5-9-18-7-1-3-10-20(18)22)24-14-6-15-25-16-13-19-8-2-4-11-21(19)25/h2,4-5,8-9,11-12H,1,3,6-7,10,13-17H2,(H,24,26)
InChIKeyTVPDKKZIYZXQTI-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.51
Rot. Bonds7

About N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (PubChem CID 100555755) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
PubChem CID100555755
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESO=C(COc1cccc2c1CCCC2)NCCCN1CCc2ccccc21
InChIInChI=1S/C23H28N2O2/c26-23(17-27-22-12-5-9-18-7-1-3-10-20(18)22)24-14-6-15-25-16-13-19-8-2-4-11-21(19)25/h2,4-5,8-9,11-12H,1,3,6-7,10,13-17H2,(H,24,26)
InChIKeyTVPDKKZIYZXQTI-UHFFFAOYSA-N
XLogP3.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100562553
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100750796
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100569732
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
N-[2-(2-chlorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100663620
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100723383
1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119851215
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100721805
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (CID 100555755) is N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is O=C(COc1cccc2c1CCCC2)NCCCN1CCc2ccccc21.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The InChIKey is TVPDKKZIYZXQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-23(17-27-22-12-5-9-18-7-1-3-10-20(18)22)24-14-6-15-25-16-13-19-8-2-4-11-21(19)25/h2,4-5,8-9,11-12H,1,3,6-7,10,13-17H2,(H,24,26).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide has a molecular weight of 364.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is sourced from PubChem (CID 100555755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).