N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

C34H32N4O4 — CID 23401222

IUPACN-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
SMILESCCOc1ccc(-n2c(C(C)N(CC(N)=O)C(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C34H32N4O4/c1-3-42-28-19-17-27(18-20-28)38-33(36-30-12-8-7-11-29(30)34(38)41)23(2)37(22-31(35)39)32(40)21-24-13-15-26(16-14-24)25-9-5-4-6-10-25/h4-20,23H,3,21-22H2,1-2H3,(H2,35,39)
InChIKeyVDMRMNVTZJEXAH-UHFFFAOYSA-N
MW560.65 g/mol
LogP5.07
Rot. Bonds10

About N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide

N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 23401222) has the molecular formula C34H32N4O4 and a molecular weight of 560.65 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID23401222
Molecular FormulaC34H32N4O4
Molecular Weight560.65 g/mol
Exact Mass560.24
IUPAC NameN-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
SMILESCCOc1ccc(-n2c(C(C)N(CC(N)=O)C(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C34H32N4O4/c1-3-42-28-19-17-27(18-20-28)38-33(36-30-12-8-7-11-29(30)34(38)41)23(2)37(22-31(35)39)32(40)21-24-13-15-26(16-14-24)25-9-5-4-6-10-25/h4-20,23H,3,21-22H2,1-2H3,(H2,35,39)
InChIKeyVDMRMNVTZJEXAH-UHFFFAOYSA-N
XLogP5.07
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide with MolForge

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Related Compounds

ethyl 4-[benzyl-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 5161627
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylfuran-2-carboxamide
CID 42721625
N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42721644
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)cyclobutanecarboxamide
CID 42721505
N-(2-cyanoethyl)-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide;methane
CID 162262439
4-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-phenylethyl)benzamide
CID 4312468
2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one
CID 58601638
2-(4-chlorophenoxy)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42721500
N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclobutanecarboxamide
CID 42721655
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 42721452
4-chloro-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 5196601
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylcyclopentanecarboxamide
CID 42721516

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide (CID 23401222) is N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is CCOc1ccc(-n2c(C(C)N(CC(N)=O)C(=O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is VDMRMNVTZJEXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O4/c1-3-42-28-19-17-27(18-20-28)38-33(36-30-12-8-7-11-29(30)34(38)41)23(2)37(22-31(35)39)32(40)21-24-13-15-26(16-14-24)25-9-5-4-6-10-25/h4-20,23H,3,21-22H2,1-2H3,(H2,35,39).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide?
N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 560.65 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 23401222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).