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

C21H23N3O3 — CID 135821082

IUPACN-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCc1cccc(OCC(=O)N(CC)Cc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C21H23N3O3/c1-3-15-8-7-9-16(12-15)27-14-20(25)24(4-2)13-19-22-18-11-6-5-10-17(18)21(26)23-19/h5-12H,3-4,13-14H2,1-2H3,(H,22,23,26)
InChIKeyQZUVXLTVFSGPDF-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.91
Rot. Bonds7

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

N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 135821082) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID135821082
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCc1cccc(OCC(=O)N(CC)Cc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C21H23N3O3/c1-3-15-8-7-9-16(12-15)27-14-20(25)24(4-2)13-19-22-18-11-6-5-10-17(18)21(26)23-19/h5-12H,3-4,13-14H2,1-2H3,(H,22,23,26)
InChIKeyQZUVXLTVFSGPDF-UHFFFAOYSA-N
XLogP2.91
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(3-chlorophenoxy)-N-ethylacetamide
CID 135875144
N-ethyl-3-(3-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821067
N-ethyl-2-(2-fluorophenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821046
2-(2-tert-butylphenoxy)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137315328
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
N-benzyl-2-(4-chloro-2,6-dimethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135850117
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 135527538
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2,6-dimethylphenoxy)-N-ethylacetamide
CID 135875142
N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 135687208
2-[ethyl-[2-(3-ethylphenoxy)acetyl]amino]acetic acid
CID 54900937
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
N-benzyl-3,4-diethoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135875437

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 135821082) is N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CCc1cccc(OCC(=O)N(CC)Cc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is QZUVXLTVFSGPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-15-8-7-9-16(12-15)27-14-20(25)24(4-2)13-19-22-18-11-6-5-10-17(18)21(26)23-19/h5-12H,3-4,13-14H2,1-2H3,(H,22,23,26).
What are the key properties of N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 135821082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).