2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C23H27N3O3 — CID 137315328

IUPAC2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C23H27N3O3/c1-5-26(14-20-24-18-12-8-6-10-16(18)22(28)25-20)21(27)15-29-19-13-9-7-11-17(19)23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,25,28)
InChIKeyLVWTWCWGBMVFBE-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.65
Rot. Bonds6

About 2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 137315328) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID137315328
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C23H27N3O3/c1-5-26(14-20-24-18-12-8-6-10-16(18)22(28)25-20)21(27)15-29-19-13-9-7-11-17(19)23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,25,28)
InChIKeyLVWTWCWGBMVFBE-UHFFFAOYSA-N
XLogP3.65
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide with MolForge

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Related Compounds

N-ethyl-2-(2-fluorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821046
N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821082
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
(E)-3-(2-ethoxyphenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]prop-2-enamide
CID 135821194
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
3-[[2-(2-tert-butylphenoxy)acetyl]-ethylamino]propanoic acid
CID 119191723
N-ethyl-2-(1-hydroxycyclopentyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136821194
(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
CID 135821026
N-ethyl-3-(3-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821067
2-(2-bromo-4-chlorophenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylacetamide
CID 135875145
3-chloro-5-ethoxy-N-ethyl-4-hydroxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 136935245
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid
CID 135991285

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 137315328) is 2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is LVWTWCWGBMVFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-26(14-20-24-18-12-8-6-10-16(18)22(28)25-20)21(27)15-29-19-13-9-7-11-17(19)23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,25,28).
What are the key properties of 2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 137315328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).