N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide

C20H23N3O3 — CID 663727

IUPACN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C20H23N3O3/c1-4-13-5-7-14(8-6-13)26-12-18(25)23-19-21-11-15-16(22-19)9-20(2,3)10-17(15)24/h5-8,11H,4,9-10,12H2,1-3H3,(H,21,22,23,25)
InChIKeyICIHHGJTCZSGMX-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.21
Rot. Bonds5

About N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide

N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide (PubChem CID 663727) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide
PubChem CID663727
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C20H23N3O3/c1-4-13-5-7-14(8-6-13)26-12-18(25)23-19-21-11-15-16(22-19)9-20(2,3)10-17(15)24/h5-8,11H,4,9-10,12H2,1-3H3,(H,21,22,23,25)
InChIKeyICIHHGJTCZSGMX-UHFFFAOYSA-N
XLogP3.21
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide (CID 663727) is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1.
What is the InChIKey of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide?
The InChIKey is ICIHHGJTCZSGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-13-5-7-14(8-6-13)26-12-18(25)23-19-21-11-15-16(22-19)9-20(2,3)10-17(15)24/h5-8,11H,4,9-10,12H2,1-3H3,(H,21,22,23,25).
What are the key properties of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide?
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 663727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).