N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

C20H27N3O3 — CID 22110617

IUPACN-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCCCC2)c1=O
InChIInChI=1S/C20H27N3O3/c1-2-22-19(25)16-12-8-9-13-17(16)23(20(22)26)14-18(24)21-15-10-6-4-3-5-7-11-15/h8-9,12-13,15H,2-7,10-11,14H2,1H3,(H,21,24)
InChIKeyNPIKWKFEKWZUOC-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.41
Rot. Bonds4

About N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 22110617) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID22110617
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCCCC2)c1=O
InChIInChI=1S/C20H27N3O3/c1-2-22-19(25)16-12-8-9-13-17(16)23(20(22)26)14-18(24)21-15-10-6-4-3-5-7-11-15/h8-9,12-13,15H,2-7,10-11,14H2,1H3,(H,21,24)
InChIKeyNPIKWKFEKWZUOC-UHFFFAOYSA-N
XLogP2.41
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030701
N-cyclopentyl-5-[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 3235637
2-[3-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-phenylacetamide
CID 22430011
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
N-cyclopentyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502325
5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
CID 50762788
5-[1-[2-(butylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50742859
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 18121435
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 51951533
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 46554701
N-[(2-chlorophenyl)methyl]-5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 16801019
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 55945706

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 22110617) is N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCCCC2)c1=O.
What is the InChIKey of N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is NPIKWKFEKWZUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-22-19(25)16-12-8-9-13-17(16)23(20(22)26)14-18(24)21-15-10-6-4-3-5-7-11-15/h8-9,12-13,15H,2-7,10-11,14H2,1H3,(H,21,24).
What are the key properties of N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 357.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 22110617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).