N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide

C21H25N3O — CID 109027527

IUPACN-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
SMILESCc1ccc(NC(=O)CCNCCc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C21H25N3O/c1-15-7-8-19(16(2)13-15)24-21(25)10-12-22-11-9-17-14-23-20-6-4-3-5-18(17)20/h3-8,13-14,22-23H,9-12H2,1-2H3,(H,24,25)
InChIKeyLPDNHNJQQHSPCQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.95
Rot. Bonds7

About N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide

N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide (PubChem CID 109027527) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
PubChem CID109027527
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
SMILESCc1ccc(NC(=O)CCNCCc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C21H25N3O/c1-15-7-8-19(16(2)13-15)24-21(25)10-12-22-11-9-17-14-23-20-6-4-3-5-18(17)20/h3-8,13-14,22-23H,9-12H2,1-2H3,(H,24,25)
InChIKeyLPDNHNJQQHSPCQ-UHFFFAOYSA-N
XLogP3.95
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.95
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

3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027411
3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide
CID 109027558
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002411
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
2-[2-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334
N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027566
3-[2-(1H-indol-3-yl)ethylamino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109027564
N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025394
N-[3-(1H-indol-3-yl)prop-1-en-2-yl]-2,4-dimethylaniline
CID 144941300
N-(2,4-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215351
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide (CID 109027527) is N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide is Cc1ccc(NC(=O)CCNCCc2c[nH]c3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide?
The InChIKey is LPDNHNJQQHSPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15-7-8-19(16(2)13-15)24-21(25)10-12-22-11-9-17-14-23-20-6-4-3-5-18(17)20/h3-8,13-14,22-23H,9-12H2,1-2H3,(H,24,25).
What are the key properties of N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide?
N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide has a molecular weight of 335.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide is sourced from PubChem (CID 109027527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).