N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

C22H25N3O — CID 14836469

IUPACN-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCC(NCCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C22H25N3O/c1-15(26)25-22-8-4-5-16-13-18(9-10-20(16)22)23-12-11-17-14-24-21-7-3-2-6-19(17)21/h2-8,14,18,23-24H,9-13H2,1H3,(H,25,26)
InChIKeyBZOPXWCVQJQHMP-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.82
Rot. Bonds5

About N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 14836469) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
PubChem CID14836469
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCC(NCCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C22H25N3O/c1-15(26)25-22-8-4-5-16-13-18(9-10-20(16)22)23-12-11-17-14-24-21-7-3-2-6-19(17)21/h2-8,14,18,23-24H,9-13H2,1H3,(H,25,26)
InChIKeyBZOPXWCVQJQHMP-UHFFFAOYSA-N
XLogP3.82
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-acetamido-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 19773270
N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63420547
(E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613709
N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43078792
N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 1378371
N-[7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 19696146
methyl 3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate
CID 76838115
N-[(6R)-6-amino-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 18650731
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 2470313
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 142681169
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide (CID 14836469) is N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide is CC(=O)Nc1cccc2c1CCC(NCCc1c[nH]c3ccccc13)C2.
What is the InChIKey of N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is BZOPXWCVQJQHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15(26)25-22-8-4-5-16-13-18(9-10-20(16)22)23-12-11-17-14-24-21-7-3-2-6-19(17)21/h2-8,14,18,23-24H,9-13H2,1H3,(H,25,26).
What are the key properties of N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 14836469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).