N-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide

C18H27N3O3 — CID 131918933

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide
SMILESCCCN(CCC1=CCCCC1)C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H27N3O3/c1-3-10-21(11-9-14-7-5-4-6-8-14)16(22)12-15-13(2)19-18(24)20-17(15)23/h7H,3-6,8-12H2,1-2H3,(H2,19,20,23,24)
InChIKeyVCXAMNCQXZMUEY-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.04
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide (PubChem CID 131918933) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide
PubChem CID131918933
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide
SMILESCCCN(CCC1=CCCCC1)C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C18H27N3O3/c1-3-10-21(11-9-14-7-5-4-6-8-14)16(22)12-15-13(2)19-18(24)20-17(15)23/h7H,3-6,8-12H2,1-2H3,(H2,19,20,23,24)
InChIKeyVCXAMNCQXZMUEY-UHFFFAOYSA-N
XLogP2.04
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide (CID 131918933) is N-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide is CCCN(CCC1=CCCCC1)C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide?
The InChIKey is VCXAMNCQXZMUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-10-21(11-9-14-7-5-4-6-8-14)16(22)12-15-13(2)19-18(24)20-17(15)23/h7H,3-6,8-12H2,1-2H3,(H2,19,20,23,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide has a molecular weight of 333.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propylacetamide is sourced from PubChem (CID 131918933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).