N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide

C29H31N3O4 — CID 42721390

IUPACN-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide
SMILESCCc1ccccc1-n1c(C(C)N(CCOC)C(=O)COc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C29H31N3O4/c1-4-22-12-8-11-17-26(22)32-28(30-25-16-10-9-15-24(25)29(32)34)21(2)31(18-19-35-3)27(33)20-36-23-13-6-5-7-14-23/h5-17,21H,4,18-20H2,1-3H3
InChIKeyGDPANTHXCDYGLJ-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.56
Rot. Bonds10

About N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide

N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide (PubChem CID 42721390) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide
PubChem CID42721390
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC NameN-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide
SMILESCCc1ccccc1-n1c(C(C)N(CCOC)C(=O)COc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C29H31N3O4/c1-4-22-12-8-11-17-26(22)32-28(30-25-16-10-9-15-24(25)29(32)34)21(2)31(18-19-35-3)27(33)20-36-23-13-6-5-7-14-23/h5-17,21H,4,18-20H2,1-3H3
InChIKeyGDPANTHXCDYGLJ-UHFFFAOYSA-N
XLogP4.56
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenoxyacetamide
CID 42713207
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42721398
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide
CID 4688416
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenylmethoxyacetamide
CID 42722478
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2,2-diphenylacetamide
CID 42722470
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea
CID 42721295
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42721421
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 42721452
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 42711517
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42721462
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]pentanamide
CID 42721442
N-(2-methoxyethyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]decanamide
CID 42715420

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide?
The IUPAC name of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide (CID 42721390) is N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide?
The canonical SMILES for N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide is CCc1ccccc1-n1c(C(C)N(CCOC)C(=O)COc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide?
The InChIKey is GDPANTHXCDYGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-4-22-12-8-11-17-26(22)32-28(30-25-16-10-9-15-24(25)29(32)34)21(2)31(18-19-35-3)27(33)20-36-23-13-6-5-7-14-23/h5-17,21H,4,18-20H2,1-3H3.
What are the key properties of N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide?
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide has a molecular weight of 485.58 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide is sourced from PubChem (CID 42721390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).