4-(propanoylamino)cyclohexane-1-carboxamide

C10H18N2O2 — CID 60725353

IUPAC4-(propanoylamino)cyclohexane-1-carboxamide
SMILESCCC(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C10H18N2O2/c1-2-9(13)12-8-5-3-7(4-6-8)10(11)14/h7-8H,2-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyGIFZYQFQTYFNKZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.56
Rot. Bonds3

About 4-(propanoylamino)cyclohexane-1-carboxamide

4-(propanoylamino)cyclohexane-1-carboxamide (PubChem CID 60725353) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(propanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(propanoylamino)cyclohexane-1-carboxamide
PubChem CID60725353
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-(propanoylamino)cyclohexane-1-carboxamide
SMILESCCC(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C10H18N2O2/c1-2-9(13)12-8-5-3-7(4-6-8)10(11)14/h7-8H,2-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyGIFZYQFQTYFNKZ-UHFFFAOYSA-N
XLogP0.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(propanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(propanoylamino)cyclohexane-1-carboxamide (CID 60725353) is 4-(propanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(propanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(propanoylamino)cyclohexane-1-carboxamide is CCC(=O)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-(propanoylamino)cyclohexane-1-carboxamide?
The InChIKey is GIFZYQFQTYFNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-9(13)12-8-5-3-7(4-6-8)10(11)14/h7-8H,2-6H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 4-(propanoylamino)cyclohexane-1-carboxamide?
4-(propanoylamino)cyclohexane-1-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 60725353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).