N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide

C20H29N3O — CID 50955220

IUPACN-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
SMILESO=C(CNCCc1c[nH]c2ccccc12)NC1CCCCCCC1
InChIInChI=1S/C20H29N3O/c24-20(23-17-8-4-2-1-3-5-9-17)15-21-13-12-16-14-22-19-11-7-6-10-18(16)19/h6-7,10-11,14,17,21-22H,1-5,8-9,12-13,15H2,(H,23,24)
InChIKeyPRQBLACQHANLJP-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.53
Rot. Bonds6

About N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide

N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide (PubChem CID 50955220) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
PubChem CID50955220
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
SMILESO=C(CNCCc1c[nH]c2ccccc12)NC1CCCCCCC1
InChIInChI=1S/C20H29N3O/c24-20(23-17-8-4-2-1-3-5-9-17)15-21-13-12-16-14-22-19-11-7-6-10-18(16)19/h6-7,10-11,14,17,21-22H,1-5,8-9,12-13,15H2,(H,23,24)
InChIKeyPRQBLACQHANLJP-UHFFFAOYSA-N
XLogP3.53
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
N-cycloheptyl-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823490
1-(azepan-1-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002313
N-cyclopentyl-2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124873371
1-N-cyclopentyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132031
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The IUPAC name of N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide (CID 50955220) is N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide is O=C(CNCCc1c[nH]c2ccccc12)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The InChIKey is PRQBLACQHANLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c24-20(23-17-8-4-2-1-3-5-9-17)15-21-13-12-16-14-22-19-11-7-6-10-18(16)19/h6-7,10-11,14,17,21-22H,1-5,8-9,12-13,15H2,(H,23,24).
What are the key properties of N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide has a molecular weight of 327.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 50955220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).