N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide

C20H20N2O3 — CID 101083306

IUPACN-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide
SMILESO=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18-10-4-8-16-14(18)12-15-17(9-5-11-19(15)24)22(16)21-20(25)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,21,25)
InChIKeyDQOWVJWCLVYOGP-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.05
Rot. Bonds2

About N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide

N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide (PubChem CID 101083306) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide.

Molecular Properties

Compound NameN-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide
PubChem CID101083306
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide
SMILESO=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18-10-4-8-16-14(18)12-15-17(9-5-11-19(15)24)22(16)21-20(25)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,21,25)
InChIKeyDQOWVJWCLVYOGP-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide?
The IUPAC name of N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide (CID 101083306) is N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide.
What is the SMILES notation for N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide?
The canonical SMILES for N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide is O=C1CCCC2=C1CC1=C(CCCC1=O)N2NC(=O)c1ccccc1.
What is the InChIKey of N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide?
The InChIKey is DQOWVJWCLVYOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18-10-4-8-16-14(18)12-15-17(9-5-11-19(15)24)22(16)21-20(25)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,21,25).
What are the key properties of N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide?
N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide is sourced from PubChem (CID 101083306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).