3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide

C21H25N3O — CID 109027411

IUPAC3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCc1ccc(NCCC(=O)NCCc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C21H25N3O/c1-15-7-8-19(16(2)13-15)22-12-10-21(25)23-11-9-17-14-24-20-6-4-3-5-18(17)20/h3-8,13-14,22,24H,9-12H2,1-2H3,(H,23,25)
InChIKeyJRAJVGOGQXMEFU-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.95
Rot. Bonds7

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

3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 109027411) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID109027411
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCc1ccc(NCCC(=O)NCCc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C21H25N3O/c1-15-7-8-19(16(2)13-15)22-12-10-21(25)23-11-9-17-14-24-20-6-4-3-5-18(17)20/h3-8,13-14,22,24H,9-12H2,1-2H3,(H,23,25)
InChIKeyJRAJVGOGQXMEFU-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

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Related Compounds

3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51164021
N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-3-(2-propan-2-yloxyanilino)propanamide
CID 109027445
2-[2-(1H-indol-3-yl)ethylamino]-5-methylbenzoic acid
CID 170655465
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18107803
3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027454
2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109261245
6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352254

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 109027411) is 3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide is Cc1ccc(NCCC(=O)NCCc2c[nH]c3ccccc23)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is JRAJVGOGQXMEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15-7-8-19(16(2)13-15)22-12-10-21(25)23-11-9-17-14-24-20-6-4-3-5-18(17)20/h3-8,13-14,22,24H,9-12H2,1-2H3,(H,23,25).
What are the key properties of 3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]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 3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 109027411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).