N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide

C32H40N4O2 — CID 155547149

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCCCCCCNc3c4c(nc5ccccc35)CCCC4)c2c1
InChIInChI=1S/C32H40N4O2/c1-38-24-16-17-28-27(21-24)23(22-35-28)18-20-33-31(37)15-5-3-2-4-10-19-34-32-25-11-6-8-13-29(25)36-30-14-9-7-12-26(30)32/h6,8,11,13,16-17,21-22,35H,2-5,7,9-10,12,14-15,18-20H2,1H3,(H,33,37)(H,34,36)
InChIKeyXLVBRAZAMLPBJD-UHFFFAOYSA-N
MW512.70 g/mol
LogP6.71
Rot. Bonds13

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide (PubChem CID 155547149) has the molecular formula C32H40N4O2 and a molecular weight of 512.70 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide
PubChem CID155547149
Molecular FormulaC32H40N4O2
Molecular Weight512.70 g/mol
Exact Mass512.32
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCCCCCCNc3c4c(nc5ccccc35)CCCC4)c2c1
InChIInChI=1S/C32H40N4O2/c1-38-24-16-17-28-27(21-24)23(22-35-28)18-20-33-31(37)15-5-3-2-4-10-19-34-32-25-11-6-8-13-29(25)36-30-14-9-7-12-26(30)32/h6,8,11,13,16-17,21-22,35H,2-5,7,9-10,12,14-15,18-20H2,1H3,(H,33,37)(H,34,36)
InChIKeyXLVBRAZAMLPBJD-UHFFFAOYSA-N
XLogP6.71
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 56.71
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]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide (CID 155547149) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide is COc1ccc2[nH]cc(CCNC(=O)CCCCCCCNc3c4c(nc5ccccc35)CCCC4)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide?
The InChIKey is XLVBRAZAMLPBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O2/c1-38-24-16-17-28-27(21-24)23(22-35-28)18-20-33-31(37)15-5-3-2-4-10-19-34-32-25-11-6-8-13-29(25)36-30-14-9-7-12-26(30)32/h6,8,11,13,16-17,21-22,35H,2-5,7,9-10,12,14-15,18-20H2,1H3,(H,33,37)(H,34,36).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide has a molecular weight of 512.70 g/mol, XLogP of 6.71, 13 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]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide is sourced from PubChem (CID 155547149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).