3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide

C29H34N4O — CID 11316986

IUPAC3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C29H34N4O/c34-28(17-16-21-20-32-25-13-5-2-10-22(21)25)30-18-8-1-9-19-31-29-23-11-3-6-14-26(23)33-27-15-7-4-12-24(27)29/h2-3,5-6,10-11,13-14,20,32H,1,4,7-9,12,15-19H2,(H,30,34)(H,31,33)
InChIKeyYYNNNHICPRTURU-UHFFFAOYSA-N
MW454.62 g/mol
LogP5.93
Rot. Bonds10

About 3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide

3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide (PubChem CID 11316986) has the molecular formula C29H34N4O and a molecular weight of 454.62 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide
PubChem CID11316986
Molecular FormulaC29H34N4O
Molecular Weight454.62 g/mol
Exact Mass454.27
IUPAC Name3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C29H34N4O/c34-28(17-16-21-20-32-25-13-5-2-10-22(21)25)30-18-8-1-9-19-31-29-23-11-3-6-14-26(23)33-27-15-7-4-12-24(27)29/h2-3,5-6,10-11,13-14,20,32H,1,4,7-9,12,15-19H2,(H,30,34)(H,31,33)
InChIKeyYYNNNHICPRTURU-UHFFFAOYSA-N
XLogP5.93
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 55.93
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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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide (CID 11316986) is 3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide is O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide?
The InChIKey is YYNNNHICPRTURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O/c34-28(17-16-21-20-32-25-13-5-2-10-22(21)25)30-18-8-1-9-19-31-29-23-11-3-6-14-26(23)33-27-15-7-4-12-24(27)29/h2-3,5-6,10-11,13-14,20,32H,1,4,7-9,12,15-19H2,(H,30,34)(H,31,33).
What are the key properties of 3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide?
3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide has a molecular weight of 454.62 g/mol, XLogP of 5.93, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]propanamide is sourced from PubChem (CID 11316986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).