N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide

C15H25NO3 — CID 57108080

IUPACN-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide
SMILESCCN(C(=O)C1CCCCC1)C(CC(C)=O)C(C)=O
InChIInChI=1S/C15H25NO3/c1-4-16(14(12(3)18)10-11(2)17)15(19)13-8-6-5-7-9-13/h13-14H,4-10H2,1-3H3
InChIKeyKSCOBOOSDXEHOK-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.35
Rot. Bonds6

About N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide

N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide (PubChem CID 57108080) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide
PubChem CID57108080
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide
SMILESCCN(C(=O)C1CCCCC1)C(CC(C)=O)C(C)=O
InChIInChI=1S/C15H25NO3/c1-4-16(14(12(3)18)10-11(2)17)15(19)13-8-6-5-7-9-13/h13-14H,4-10H2,1-3H3
InChIKeyKSCOBOOSDXEHOK-UHFFFAOYSA-N
XLogP2.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide?
The IUPAC name of N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide (CID 57108080) is N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide.
What is the SMILES notation for N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide?
The canonical SMILES for N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide is CCN(C(=O)C1CCCCC1)C(CC(C)=O)C(C)=O.
What is the InChIKey of N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide?
The InChIKey is KSCOBOOSDXEHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-16(14(12(3)18)10-11(2)17)15(19)13-8-6-5-7-9-13/h13-14H,4-10H2,1-3H3.
What are the key properties of N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide?
N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide has a molecular weight of 267.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide is sourced from PubChem (CID 57108080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).