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

C20H23N3O — CID 108999978

IUPAC2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
SMILESO=C(CNCCc1c[nH]c2ccccc12)NCCc1ccccc1
InChIInChI=1S/C20H23N3O/c24-20(22-13-10-16-6-2-1-3-7-16)15-21-12-11-17-14-23-19-9-5-4-8-18(17)19/h1-9,14,21,23H,10-13,15H2,(H,22,24)
InChIKeyBUIDLZNGPRESTP-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.66
Rot. Bonds8

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

2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide (PubChem CID 108999978) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
PubChem CID108999978
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
SMILESO=C(CNCCc1c[nH]c2ccccc12)NCCc1ccccc1
InChIInChI=1S/C20H23N3O/c24-20(22-13-10-16-6-2-1-3-7-16)15-21-12-11-17-14-23-19-9-5-4-8-18(17)19/h1-9,14,21,23H,10-13,15H2,(H,22,24)
InChIKeyBUIDLZNGPRESTP-UHFFFAOYSA-N
XLogP2.66
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.66
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-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 108995075
4-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid
CID 71900120
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide (CID 108999978) is 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide is O=C(CNCCc1c[nH]c2ccccc12)NCCc1ccccc1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is BUIDLZNGPRESTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(22-13-10-16-6-2-1-3-7-16)15-21-12-11-17-14-23-19-9-5-4-8-18(17)19/h1-9,14,21,23H,10-13,15H2,(H,22,24).
What are the key properties of 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide?
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 108999978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).