N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide

C20H25N3O — CID 127253981

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
SMILESO=C(CCCCCn1cccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H25N3O/c24-20(10-2-1-5-13-23-14-6-7-15-23)21-12-11-17-16-22-19-9-4-3-8-18(17)19/h3-4,6-9,14-16,22H,1-2,5,10-13H2,(H,21,24)
InChIKeyAALQTXXVBSPNOO-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.89
Rot. Bonds9

About N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide

N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide (PubChem CID 127253981) 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]-6-pyrrol-1-ylhexanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
PubChem CID127253981
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
SMILESO=C(CCCCCn1cccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H25N3O/c24-20(10-2-1-5-13-23-14-6-7-15-23)21-12-11-17-16-22-19-9-4-3-8-18(17)19/h3-4,6-9,14-16,22H,1-2,5,10-13H2,(H,21,24)
InChIKeyAALQTXXVBSPNOO-UHFFFAOYSA-N
XLogP3.89
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600
N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
CID 171117124
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
(7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide
CID 171117139
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-[2-(1H-indol-3-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41359496
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide (CID 127253981) is N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide is O=C(CCCCCn1cccc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide?
The InChIKey is AALQTXXVBSPNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(10-2-1-5-13-23-14-6-7-15-23)21-12-11-17-16-22-19-9-4-3-8-18(17)19/h3-4,6-9,14-16,22H,1-2,5,10-13H2,(H,21,24).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide?
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide has a molecular weight of 323.44 g/mol, XLogP of 3.89, 9 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]-6-pyrrol-1-ylhexanamide is sourced from PubChem (CID 127253981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).