N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide

C24H33N3O2 — CID 23967281

IUPACN,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H33N3O2/c1-2-22-25-21-16-10-9-15-20(21)24(29)26(22)17-23(28)27(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h9-10,15-16,18-19H,2-8,11-14,17H2,1H3
InChIKeyRRURPUUUGUZKOQ-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.45
Rot. Bonds5

About N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide

N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 23967281) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID23967281
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H33N3O2/c1-2-22-25-21-16-10-9-15-20(21)24(29)26(22)17-23(28)27(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h9-10,15-16,18-19H,2-8,11-14,17H2,1H3
InChIKeyRRURPUUUGUZKOQ-UHFFFAOYSA-N
XLogP4.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide (CID 23967281) is N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide is CCc1nc2ccccc2c(=O)n1CC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is RRURPUUUGUZKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-2-22-25-21-16-10-9-15-20(21)24(29)26(22)17-23(28)27(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h9-10,15-16,18-19H,2-8,11-14,17H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide?
N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 395.55 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 23967281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).