N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C17H24N4O4 — CID 56902330

IUPACN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)NC1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C17H24N4O4/c22-14(7-11-9-18-17(25)20-16(11)24)19-12-8-15(23)21(10-12)13-5-3-1-2-4-6-13/h9,12-13H,1-8,10H2,(H,19,22)(H2,18,20,24,25)
InChIKeyRWXKNNVEFNYCDY-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.05
Rot. Bonds4

About N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 56902330) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID56902330
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)NC1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C17H24N4O4/c22-14(7-11-9-18-17(25)20-16(11)24)19-12-8-15(23)21(10-12)13-5-3-1-2-4-6-13/h9,12-13H,1-8,10H2,(H,19,22)(H2,18,20,24,25)
InChIKeyRWXKNNVEFNYCDY-UHFFFAOYSA-N
XLogP0.05
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 56902330) is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is O=C(Cc1c[nH]c(=O)[nH]c1=O)NC1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is RWXKNNVEFNYCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c22-14(7-11-9-18-17(25)20-16(11)24)19-12-8-15(23)21(10-12)13-5-3-1-2-4-6-13/h9,12-13H,1-8,10H2,(H,19,22)(H2,18,20,24,25).
What are the key properties of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 348.40 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 56902330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).