N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide

C20H21N3O2 — CID 43009851

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C20H21N3O2/c1-13-8-9-14(2)17(10-13)15(3)22-19(24)11-23-12-21-18-7-5-4-6-16(18)20(23)25/h4-10,12,15H,11H2,1-3H3,(H,22,24)
InChIKeyUPRAXFSTJLDCLQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.89
Rot. Bonds4

About N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 43009851) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID43009851
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C20H21N3O2/c1-13-8-9-14(2)17(10-13)15(3)22-19(24)11-23-12-21-18-7-5-4-6-16(18)20(23)25/h4-10,12,15H,11H2,1-3H3,(H,22,24)
InChIKeyUPRAXFSTJLDCLQ-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9297441
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 17458089
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 18116306
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46653428
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 43009851) is N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide is Cc1ccc(C)c(C(C)NC(=O)Cn2cnc3ccccc3c2=O)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is UPRAXFSTJLDCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-8-9-14(2)17(10-13)15(3)22-19(24)11-23-12-21-18-7-5-4-6-16(18)20(23)25/h4-10,12,15H,11H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 43009851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).