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

C16H23N3O — CID 109002301

IUPACN-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-16(2,3)19-15(20)11-17-9-8-12-10-18-14-7-5-4-6-13(12)14/h4-7,10,17-18H,8-9,11H2,1-3H3,(H,19,20)
InChIKeyVSMOWEJQTRIOJI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.21
Rot. Bonds5

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

N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide (PubChem CID 109002301) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
PubChem CID109002301
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-16(2,3)19-15(20)11-17-9-8-12-10-18-14-7-5-4-6-13(12)14/h4-7,10,17-18H,8-9,11H2,1-3H3,(H,19,20)
InChIKeyVSMOWEJQTRIOJI-UHFFFAOYSA-N
XLogP2.21
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.21
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

2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide
CID 51222112
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
2-[2-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334
1-(azepan-1-yl)-2-[2-(1H-indol-3-yl)ethylamino]ethanone
CID 109002313
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002406
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
(E)-but-2-enedioic acid;bis(N-ethyl-2-(1H-indol-3-yl)ethanamine)
CID 172871952
(2S)-2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-(1H-indol-3-yl)propanamide
CID 119956154

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide (CID 109002301) is N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide is CC(C)(C)NC(=O)CNCCc1c[nH]c2ccccc12.
What is the InChIKey of N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
The InChIKey is VSMOWEJQTRIOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,3)19-15(20)11-17-9-8-12-10-18-14-7-5-4-6-13(12)14/h4-7,10,17-18H,8-9,11H2,1-3H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide?
N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide has a molecular weight of 273.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 109002301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).