N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide

C21H23N3O2 — CID 95763026

IUPACN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
SMILESCc1ccc(C)c([C@H](C)N(C)C(=O)Cn2ncc(=O)c3ccccc32)c1
InChIInChI=1S/C21H23N3O2/c1-14-9-10-15(2)18(11-14)16(3)23(4)21(26)13-24-19-8-6-5-7-17(19)20(25)12-22-24/h5-12,16H,13H2,1-4H3/t16-/m0/s1
InChIKeyRMPZWDVIFAWRGY-INIZCTEOSA-N
MW349.43 g/mol
LogP3.23
Rot. Bonds4

About N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 95763026) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID95763026
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
SMILESCc1ccc(C)c([C@H](C)N(C)C(=O)Cn2ncc(=O)c3ccccc32)c1
InChIInChI=1S/C21H23N3O2/c1-14-9-10-15(2)18(11-14)16(3)23(4)21(26)13-24-19-8-6-5-7-17(19)20(25)12-22-24/h5-12,16H,13H2,1-4H3/t16-/m0/s1
InChIKeyRMPZWDVIFAWRGY-INIZCTEOSA-N
XLogP3.23
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 86925735
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
1-(3-methylphenyl)ethyl 2-(4-oxocinnolin-1-yl)acetate
CID 56806353
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
N-methyl-N-naphthalen-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 134012541
N-(2-methoxy-4-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 87028673
2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide
CID 9088380
N-ethyl-N-(2-hydroxyethyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 78855476
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 60557343
1-(2-oxopentyl)cinnolin-4-one
CID 62043361
N-[(2-methylphenyl)methyl]-2-(4-oxocinnolin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 55982590

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide (CID 95763026) is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide is Cc1ccc(C)c([C@H](C)N(C)C(=O)Cn2ncc(=O)c3ccccc32)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is RMPZWDVIFAWRGY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-9-10-15(2)18(11-14)16(3)23(4)21(26)13-24-19-8-6-5-7-17(19)20(25)12-22-24/h5-12,16H,13H2,1-4H3/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 95763026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).