N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide

C26H29N3O3 — CID 22429472

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)NCCC3=CCCCC3)c2=O)c1
InChIInChI=1S/C26H29N3O3/c1-18-14-19(2)16-21(15-18)29-25(31)22-10-6-7-11-23(22)28(26(29)32)17-24(30)27-13-12-20-8-4-3-5-9-20/h6-8,10-11,14-16H,3-5,9,12-13,17H2,1-2H3,(H,27,30)
InChIKeyDNOIMJKUAXNPNM-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 22429472) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID22429472
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)NCCC3=CCCCC3)c2=O)c1
InChIInChI=1S/C26H29N3O3/c1-18-14-19(2)16-21(15-18)29-25(31)22-10-6-7-11-23(22)28(26(29)32)17-24(30)27-13-12-20-8-4-3-5-9-20/h6-8,10-11,14-16H,3-5,9,12-13,17H2,1-2H3,(H,27,30)
InChIKeyDNOIMJKUAXNPNM-UHFFFAOYSA-N
XLogP3.78
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 22429951
N-(1,3-benzodioxol-5-ylmethyl)-5-[1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 46247393
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46357381
2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46857122
2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 46857126
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide
CID 22423517
N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857114
3-(3,5-dimethylphenyl)-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]quinazoline-2,4-dione
CID 164962152
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 20893850
2-[2,4-dioxo-3-(3,4,5-trimethoxyphenyl)quinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 6621475
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-[(2,5-dimethylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292673
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108942886

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide (CID 22429472) is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide is Cc1cc(C)cc(-n2c(=O)c3ccccc3n(CC(=O)NCCC3=CCCCC3)c2=O)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is DNOIMJKUAXNPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-18-14-19(2)16-21(15-18)29-25(31)22-10-6-7-11-23(22)28(26(29)32)17-24(30)27-13-12-20-8-4-3-5-9-20/h6-8,10-11,14-16H,3-5,9,12-13,17H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 22429472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).