N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide

C24H31N3O2 — CID 43064735

IUPACN-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCN(CC)C(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C
InChIInChI=1S/C24H31N3O2/c1-5-26(6-2)22(17(3)4)15-25-23(28)16-27-20-13-9-7-11-18(20)24(29)19-12-8-10-14-21(19)27/h7-14,17,22H,5-6,15-16H2,1-4H3,(H,25,28)
InChIKeyXMGOFQQHPIWLPW-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.64
Rot. Bonds8

About N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide

N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 43064735) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID43064735
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESCCN(CC)C(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C
InChIInChI=1S/C24H31N3O2/c1-5-26(6-2)22(17(3)4)15-25-23(28)16-27-20-13-9-7-11-18(20)24(29)19-12-8-10-14-21(19)27/h7-14,17,22H,5-6,15-16H2,1-4H3,(H,25,28)
InChIKeyXMGOFQQHPIWLPW-UHFFFAOYSA-N
XLogP3.64
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)propyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46433015
N-[2-(diethylamino)-2-phenylethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 42939371
N-[2-(diethylamino)-3-phenylpropyl]-2-(9-oxoacridin-10-yl)acetamide
CID 43063424
4-methyl-2-[[[2-(9-oxoacridin-10-yl)acetyl]amino]methyl]pentanoic acid
CID 120528483
N-(3-aminobutyl)-2-(9-oxoacridin-10-yl)acetamide
CID 119496675
2-(9-oxoacridin-10-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
CID 43064818
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 25488588
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 99810576
N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(9-oxoacridin-10-yl)acetamide
CID 46410424
[2-oxo-2-(2-phenylpropylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587509
N'-methyl-2-(9-oxoacridin-10-yl)-N'-phenylacetohydrazide
CID 25332872

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide (CID 43064735) is N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide is CCN(CC)C(CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C.
What is the InChIKey of N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is XMGOFQQHPIWLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-5-26(6-2)22(17(3)4)15-25-23(28)16-27-20-13-9-7-11-18(20)24(29)19-12-8-10-14-21(19)27/h7-14,17,22H,5-6,15-16H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-methylbutyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 43064735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).