N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide

C33H29N5O2 — CID 54753804

IUPACN-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide
SMILESO=C(CNCCNc1c2c(nc3ccccc13)CCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13
InChIInChI=1S/C33H29N5O2/c39-29(19-34-16-17-36-31-23-7-1-3-10-27(23)38-28-11-4-2-8-24(28)31)37-21-12-13-22-26(18-21)33(40)25-9-5-6-20-14-15-35-32(22)30(20)25/h1,3,5-7,9-10,12-15,18,34H,2,4,8,11,16-17,19H2,(H,36,38)(H,37,39)
InChIKeyDIWGQLKDVUAWID-UHFFFAOYSA-N
MW527.63 g/mol
LogP5.51
Rot. Bonds7

About N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide

N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide (PubChem CID 54753804) has the molecular formula C33H29N5O2 and a molecular weight of 527.63 g/mol. Its IUPAC name is N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide.

Molecular Properties

Compound NameN-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide
PubChem CID54753804
Molecular FormulaC33H29N5O2
Molecular Weight527.63 g/mol
Exact Mass527.23
IUPAC NameN-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide
SMILESO=C(CNCCNc1c2c(nc3ccccc13)CCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13
InChIInChI=1S/C33H29N5O2/c39-29(19-34-16-17-36-31-23-7-1-3-10-27(23)38-28-11-4-2-8-24(28)31)37-21-12-13-22-26(18-21)33(40)25-9-5-6-20-14-15-35-32(22)30(20)25/h1,3,5-7,9-10,12-15,18,34H,2,4,8,11,16-17,19H2,(H,36,38)(H,37,39)
InChIKeyDIWGQLKDVUAWID-UHFFFAOYSA-N
XLogP5.51
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide?
The IUPAC name of N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide (CID 54753804) is N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide.
What is the SMILES notation for N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide?
The canonical SMILES for N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide is O=C(CNCCNc1c2c(nc3ccccc13)CCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13.
What is the InChIKey of N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide?
The InChIKey is DIWGQLKDVUAWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N5O2/c39-29(19-34-16-17-36-31-23-7-1-3-10-27(23)38-28-11-4-2-8-24(28)31)37-21-12-13-22-26(18-21)33(40)25-9-5-6-20-14-15-35-32(22)30(20)25/h1,3,5-7,9-10,12-15,18,34H,2,4,8,11,16-17,19H2,(H,36,38)(H,37,39).
What are the key properties of N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide?
N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide has a molecular weight of 527.63 g/mol, XLogP of 5.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]acetamide is sourced from PubChem (CID 54753804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).