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

C25H31N3O — CID 155181348

IUPAC2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide
SMILESCc1[nH]c2ccccc2c1CCNC1CCCc2cc(CC(C)C(N)=O)ccc21
InChIInChI=1S/C25H31N3O/c1-16(25(26)29)14-18-10-11-21-19(15-18)6-5-9-23(21)27-13-12-20-17(2)28-24-8-4-3-7-22(20)24/h3-4,7-8,10-11,15-16,23,27-28H,5-6,9,12-14H2,1-2H3,(H2,26,29)
InChIKeyKOSAPEAJXCEQMY-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.35
Rot. Bonds7

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

2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide (PubChem CID 155181348) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide
PubChem CID155181348
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide
SMILESCc1[nH]c2ccccc2c1CCNC1CCCc2cc(CC(C)C(N)=O)ccc21
InChIInChI=1S/C25H31N3O/c1-16(25(26)29)14-18-10-11-21-19(15-18)6-5-9-23(21)27-13-12-20-17(2)28-24-8-4-3-7-22(20)24/h3-4,7-8,10-11,15-16,23,27-28H,5-6,9,12-14H2,1-2H3,(H2,26,29)
InChIKeyKOSAPEAJXCEQMY-UHFFFAOYSA-N
XLogP4.35
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide?
The IUPAC name of 2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide (CID 155181348) is 2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide.
What is the SMILES notation for 2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide?
The canonical SMILES for 2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide is Cc1[nH]c2ccccc2c1CCNC1CCCc2cc(CC(C)C(N)=O)ccc21.
What is the InChIKey of 2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide?
The InChIKey is KOSAPEAJXCEQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-16(25(26)29)14-18-10-11-21-19(15-18)6-5-9-23(21)27-13-12-20-17(2)28-24-8-4-3-7-22(20)24/h3-4,7-8,10-11,15-16,23,27-28H,5-6,9,12-14H2,1-2H3,(H2,26,29).
What are the key properties of 2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide?
2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide has a molecular weight of 389.54 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-[2-(2-methyl-1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]propanamide is sourced from PubChem (CID 155181348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).