ethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate

C15H21N3O5 — CID 171984285

IUPACethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate
SMILESCCOC(=O)NC(=O)c1cn(C2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H21N3O5/c1-2-23-15(22)17-13(20)11-9-18(14(21)16-12(11)19)10-7-5-3-4-6-8-10/h9-10H,2-8H2,1H3,(H,16,19,21)(H,17,20,22)
InChIKeyMOEMRDIGIWEOFY-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.32
Rot. Bonds3

About ethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate

ethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate (PubChem CID 171984285) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate
PubChem CID171984285
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Nameethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate
SMILESCCOC(=O)NC(=O)c1cn(C2CCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H21N3O5/c1-2-23-15(22)17-13(20)11-9-18(14(21)16-12(11)19)10-7-5-3-4-6-8-10/h9-10H,2-8H2,1H3,(H,16,19,21)(H,17,20,22)
InChIKeyMOEMRDIGIWEOFY-UHFFFAOYSA-N
XLogP1.32
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate?
The IUPAC name of ethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate (CID 171984285) is ethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate.
What is the SMILES notation for ethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate?
The canonical SMILES for ethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate is CCOC(=O)NC(=O)c1cn(C2CCCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of ethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate?
The InChIKey is MOEMRDIGIWEOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-2-23-15(22)17-13(20)11-9-18(14(21)16-12(11)19)10-7-5-3-4-6-8-10/h9-10H,2-8H2,1H3,(H,16,19,21)(H,17,20,22).
What are the key properties of ethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate?
ethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate has a molecular weight of 323.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-cycloheptyl-2,4-dioxopyrimidine-5-carbonyl)carbamate is sourced from PubChem (CID 171984285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).