N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

C15H23N3O3 — CID 115880598

IUPACN-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H23N3O3/c1-9-11(13(20)18-14(21)16-9)4-5-12(19)17-10-6-7-15(2,3)8-10/h10H,4-8H2,1-3H3,(H,17,19)(H2,16,18,20,21)
InChIKeyGLGMDSIUTISBNC-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.00
Rot. Bonds4

About N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 115880598) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID115880598
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C15H23N3O3/c1-9-11(13(20)18-14(21)16-9)4-5-12(19)17-10-6-7-15(2,3)8-10/h10H,4-8H2,1-3H3,(H,17,19)(H2,16,18,20,21)
InChIKeyGLGMDSIUTISBNC-UHFFFAOYSA-N
XLogP1.00
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 115880598) is N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is GLGMDSIUTISBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9-11(13(20)18-14(21)16-9)4-5-12(19)17-10-6-7-15(2,3)8-10/h10H,4-8H2,1-3H3,(H,17,19)(H2,16,18,20,21).
What are the key properties of N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 115880598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).