4-acetamidocyclohexane-1-carboxamide

C9H16N2O2 — CID 57440943

IUPAC4-acetamidocyclohexane-1-carboxamide
SMILESCC(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C9H16N2O2/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h7-8H,2-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyJELMHMDGUFPAPV-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.17
Rot. Bonds2

About 4-acetamidocyclohexane-1-carboxamide

4-acetamidocyclohexane-1-carboxamide (PubChem CID 57440943) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-acetamidocyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-acetamidocyclohexane-1-carboxamide
PubChem CID57440943
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-acetamidocyclohexane-1-carboxamide
SMILESCC(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C9H16N2O2/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h7-8H,2-5H2,1H3,(H2,10,13)(H,11,12)
InChIKeyJELMHMDGUFPAPV-UHFFFAOYSA-N
XLogP0.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetamidocyclohexane-1-carboxamide?
The IUPAC name of 4-acetamidocyclohexane-1-carboxamide (CID 57440943) is 4-acetamidocyclohexane-1-carboxamide.
What is the SMILES notation for 4-acetamidocyclohexane-1-carboxamide?
The canonical SMILES for 4-acetamidocyclohexane-1-carboxamide is CC(=O)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-acetamidocyclohexane-1-carboxamide?
The InChIKey is JELMHMDGUFPAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(12)11-8-4-2-7(3-5-8)9(10)13/h7-8H,2-5H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of 4-acetamidocyclohexane-1-carboxamide?
4-acetamidocyclohexane-1-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamidocyclohexane-1-carboxamide is sourced from PubChem (CID 57440943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).