1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide

C13H25NO — CID 57084439

IUPAC1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide
SMILESCCC1(C(N)=O)CCCCCC1C(C)C
InChIInChI=1S/C13H25NO/c1-4-13(12(14)15)9-7-5-6-8-11(13)10(2)3/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyRTWFJRYRXZBJPY-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.10
Rot. Bonds3

About 1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide

1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide (PubChem CID 57084439) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide
PubChem CID57084439
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide
SMILESCCC1(C(N)=O)CCCCCC1C(C)C
InChIInChI=1S/C13H25NO/c1-4-13(12(14)15)9-7-5-6-8-11(13)10(2)3/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyRTWFJRYRXZBJPY-UHFFFAOYSA-N
XLogP3.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide?
The IUPAC name of 1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide (CID 57084439) is 1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide.
What is the SMILES notation for 1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide?
The canonical SMILES for 1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide is CCC1(C(N)=O)CCCCCC1C(C)C.
What is the InChIKey of 1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide?
The InChIKey is RTWFJRYRXZBJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-13(12(14)15)9-7-5-6-8-11(13)10(2)3/h10-11H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide?
1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide has a molecular weight of 211.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide is sourced from PubChem (CID 57084439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).