N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

C24H28N4O4 — CID 55901941

IUPACN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCC(NC(=O)Cn1c(C)nc2ccccc2c1=O)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C24H28N4O4/c1-5-19(17-10-7-9-13-21(17)32-15-23(30)27(3)4)26-22(29)14-28-16(2)25-20-12-8-6-11-18(20)24(28)31/h6-13,19H,5,14-15H2,1-4H3,(H,26,29)
InChIKeyAGNCUTZGOGRFMP-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.44
Rot. Bonds8

About N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55901941) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID55901941
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCC(NC(=O)Cn1c(C)nc2ccccc2c1=O)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C24H28N4O4/c1-5-19(17-10-7-9-13-21(17)32-15-23(30)27(3)4)26-22(29)14-28-16(2)25-20-12-8-6-11-18(20)24(28)31/h6-13,19H,5,14-15H2,1-4H3,(H,26,29)
InChIKeyAGNCUTZGOGRFMP-UHFFFAOYSA-N
XLogP2.44
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 55901941) is N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is CCC(NC(=O)Cn1c(C)nc2ccccc2c1=O)c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is AGNCUTZGOGRFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-5-19(17-10-7-9-13-21(17)32-15-23(30)27(3)4)26-22(29)14-28-16(2)25-20-12-8-6-11-18(20)24(28)31/h6-13,19H,5,14-15H2,1-4H3,(H,26,29).
What are the key properties of N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 436.51 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55901941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).