N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide

C29H34N4O2 — CID 155524775

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCCCNc3c4c(nc5ccccc35)CCCC4)c2c1
InChIInChI=1S/C29H34N4O2/c1-35-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(34)12-6-7-16-31-29-22-8-2-4-10-26(22)33-27-11-5-3-9-23(27)29/h2,4,8,10,13-14,18-19,32H,3,5-7,9,11-12,15-17H2,1H3,(H,30,34)(H,31,33)
InChIKeyPHBSCELOIYHQSP-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.54
Rot. Bonds10

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide (PubChem CID 155524775) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide
PubChem CID155524775
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCCCNc3c4c(nc5ccccc35)CCCC4)c2c1
InChIInChI=1S/C29H34N4O2/c1-35-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(34)12-6-7-16-31-29-22-8-2-4-10-26(22)33-27-11-5-3-9-23(27)29/h2,4,8,10,13-14,18-19,32H,3,5-7,9,11-12,15-17H2,1H3,(H,30,34)(H,31,33)
InChIKeyPHBSCELOIYHQSP-UHFFFAOYSA-N
XLogP5.54
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide (CID 155524775) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide is COc1ccc2[nH]cc(CCNC(=O)CCCCNc3c4c(nc5ccccc35)CCCC4)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide?
The InChIKey is PHBSCELOIYHQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-35-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(34)12-6-7-16-31-29-22-8-2-4-10-26(22)33-27-11-5-3-9-23(27)29/h2,4,8,10,13-14,18-19,32H,3,5-7,9,11-12,15-17H2,1H3,(H,30,34)(H,31,33).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide has a molecular weight of 470.62 g/mol, XLogP of 5.54, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide is sourced from PubChem (CID 155524775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).