N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide

C20H30N4O2 — CID 60557343

IUPACN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C20H30N4O2/c1-5-22(6-2)11-12-23(14-16(3)4)20(26)15-24-18-10-8-7-9-17(18)19(25)13-21-24/h7-10,13,16H,5-6,11-12,14-15H2,1-4H3
InChIKeyAORFAJJKELULDR-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.22
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide

N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 60557343) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID60557343
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C20H30N4O2/c1-5-22(6-2)11-12-23(14-16(3)4)20(26)15-24-18-10-8-7-9-17(18)19(25)13-21-24/h7-10,13,16H,5-6,11-12,14-15H2,1-4H3
InChIKeyAORFAJJKELULDR-UHFFFAOYSA-N
XLogP2.22
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 78855476
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 60524661
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
1-(2-oxopentyl)cinnolin-4-one
CID 62043361
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 86925735
1-[2-[2-(diethylamino)ethylamino]ethyl]cinnolin-4-one
CID 62567517
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 95763026
N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 134012541
N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 78672212
N-[(2-ethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 166194272

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide (CID 60557343) is N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide is CCN(CC)CCN(CC(C)C)C(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is AORFAJJKELULDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-5-22(6-2)11-12-23(14-16(3)4)20(26)15-24-18-10-8-7-9-17(18)19(25)13-21-24/h7-10,13,16H,5-6,11-12,14-15H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide?
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 358.49 g/mol, XLogP of 2.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 60557343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).