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

C28H32N4O — CID 155516468

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide
SMILESO=C(CCCCNc1c2c(nc3ccccc13)CCCC2)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C28H32N4O/c33-27(29-18-16-20-19-31-24-12-4-1-9-21(20)24)15-7-8-17-30-28-22-10-2-5-13-25(22)32-26-14-6-3-11-23(26)28/h1-2,4-5,9-10,12-13,19,31H,3,6-8,11,14-18H2,(H,29,33)(H,30,32)
InChIKeyMITMPSIUPHDEEX-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.54
Rot. Bonds9

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

N-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide (PubChem CID 155516468) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide
PubChem CID155516468
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide
SMILESO=C(CCCCNc1c2c(nc3ccccc13)CCCC2)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C28H32N4O/c33-27(29-18-16-20-19-31-24-12-4-1-9-21(20)24)15-7-8-17-30-28-22-10-2-5-13-25(22)32-26-14-6-3-11-23(26)28/h1-2,4-5,9-10,12-13,19,31H,3,6-8,11,14-18H2,(H,29,33)(H,30,32)
InChIKeyMITMPSIUPHDEEX-UHFFFAOYSA-N
XLogP5.54
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.54
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 N-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide (CID 155516468) is N-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide is O=C(CCCCNc1c2c(nc3ccccc13)CCCC2)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide?
The InChIKey is MITMPSIUPHDEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O/c33-27(29-18-16-20-19-31-24-12-4-1-9-21(20)24)15-7-8-17-30-28-22-10-2-5-13-25(22)32-26-14-6-3-11-23(26)28/h1-2,4-5,9-10,12-13,19,31H,3,6-8,11,14-18H2,(H,29,33)(H,30,32).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide?
N-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide has a molecular weight of 440.59 g/mol, XLogP of 5.54, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentanamide is sourced from PubChem (CID 155516468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).