N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

C14H21N3O3 — CID 42919309

IUPACN-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC1CCCC(NC(=O)Cn2ccc(=O)[nH]c2=O)C1C
InChIInChI=1S/C14H21N3O3/c1-9-4-3-5-11(10(9)2)15-13(19)8-17-7-6-12(18)16-14(17)20/h6-7,9-11H,3-5,8H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyIJXATFCGSQAJRM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.48
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 42919309) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID42919309
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC1CCCC(NC(=O)Cn2ccc(=O)[nH]c2=O)C1C
InChIInChI=1S/C14H21N3O3/c1-9-4-3-5-11(10(9)2)15-13(19)8-17-7-6-12(18)16-14(17)20/h6-7,9-11H,3-5,8H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeyIJXATFCGSQAJRM-UHFFFAOYSA-N
XLogP0.48
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10660614
N-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10802909
5-Fluoro-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione
CID 55220462
5-Fluoro-1-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidine-2,4-dione
CID 55220467
N-(cyclohexylmethyl)-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 36479304
2-[4-amino-3-(2-methoxyethyl)-2,6-dioxopyrimidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 42951951
N-(3-methylcyclohexyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 45816267
P5XK33Yty6
CID 86345957
Mavacamten impurity 19
CID 117762178
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489540
1-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489541
1-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 9489542

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 42919309) is N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is CC1CCCC(NC(=O)Cn2ccc(=O)[nH]c2=O)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is IJXATFCGSQAJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-4-3-5-11(10(9)2)15-13(19)8-17-7-6-12(18)16-14(17)20/h6-7,9-11H,3-5,8H2,1-2H3,(H,15,19)(H,16,18,20).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 42919309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).