N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide

C20H25N3O — CID 163091654

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide
SMILESCC(C)CC(C(=O)NCCc1c[nH]c2ccccc12)n1cccc1
InChIInChI=1S/C20H25N3O/c1-15(2)13-19(23-11-5-6-12-23)20(24)21-10-9-16-14-22-18-8-4-3-7-17(16)18/h3-8,11-12,14-15,19,22H,9-10,13H2,1-2H3,(H,21,24)
InChIKeyVAYFVFGSIKNTPC-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.92
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide

N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide (PubChem CID 163091654) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide
PubChem CID163091654
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide
SMILESCC(C)CC(C(=O)NCCc1c[nH]c2ccccc12)n1cccc1
InChIInChI=1S/C20H25N3O/c1-15(2)13-19(23-11-5-6-12-23)20(24)21-10-9-16-14-22-18-8-4-3-7-17(16)18/h3-8,11-12,14-15,19,22H,9-10,13H2,1-2H3,(H,21,24)
InChIKeyVAYFVFGSIKNTPC-UHFFFAOYSA-N
XLogP3.92
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
2-(4-hydroxypiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110884235
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
CID 127253981
1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 111503815
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
methyl (2S)-3-(1H-indol-3-yl)-2-pyrrol-1-ylpropanoate
CID 102183905

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide (CID 163091654) is N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide is CC(C)CC(C(=O)NCCc1c[nH]c2ccccc12)n1cccc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide?
The InChIKey is VAYFVFGSIKNTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(2)13-19(23-11-5-6-12-23)20(24)21-10-9-16-14-22-18-8-4-3-7-17(16)18/h3-8,11-12,14-15,19,22H,9-10,13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide?
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide has a molecular weight of 323.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 163091654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).