3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide

C22H27N3O2 — CID 109027564

IUPAC3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-16(2)27-21-10-6-5-9-20(21)25-22(26)12-14-23-13-11-17-15-24-19-8-4-3-7-18(17)19/h3-10,15-16,23-24H,11-14H2,1-2H3,(H,25,26)
InChIKeyNUFFPZJUNGQKFS-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.12
Rot. Bonds9

About 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide

3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 109027564) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID109027564
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)CCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-16(2)27-21-10-6-5-9-20(21)25-22(26)12-14-23-13-11-17-15-24-19-8-4-3-7-18(17)19/h3-10,15-16,23-24H,11-14H2,1-2H3,(H,25,26)
InChIKeyNUFFPZJUNGQKFS-UHFFFAOYSA-N
XLogP4.12
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide
CID 109027558
N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
CID 109027445
N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027566
N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616
N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
(2S)-N-(2-ethoxyphenyl)-2-[2-(1H-indol-3-yl)ethylamino]-2-phenylacetamide
CID 7928745
N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108985760
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide (CID 109027564) is 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccccc1NC(=O)CCNCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is NUFFPZJUNGQKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(2)27-21-10-6-5-9-20(21)25-22(26)12-14-23-13-11-17-15-24-19-8-4-3-7-18(17)19/h3-10,15-16,23-24H,11-14H2,1-2H3,(H,25,26).
What are the key properties of 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide?
3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 365.48 g/mol, XLogP of 4.12, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109027564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).