1-butan-2-yl-N-ethylcyclohexane-1-carboxamide

C13H25NO — CID 3016624

IUPAC1-butan-2-yl-N-ethylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1(C(C)CC)CCCCC1
InChIInChI=1S/C13H25NO/c1-4-11(3)13(12(15)14-5-2)9-7-6-8-10-13/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyCGGBZUIEPKRGGJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.12
Rot. Bonds4

About 1-butan-2-yl-N-ethylcyclohexane-1-carboxamide

1-butan-2-yl-N-ethylcyclohexane-1-carboxamide (PubChem CID 3016624) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-butan-2-yl-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-ethylcyclohexane-1-carboxamide
PubChem CID3016624
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-butan-2-yl-N-ethylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1(C(C)CC)CCCCC1
InChIInChI=1S/C13H25NO/c1-4-11(3)13(12(15)14-5-2)9-7-6-8-10-13/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyCGGBZUIEPKRGGJ-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of 1-butan-2-yl-N-ethylcyclohexane-1-carboxamide (CID 3016624) is 1-butan-2-yl-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-ethylcyclohexane-1-carboxamide is CCNC(=O)C1(C(C)CC)CCCCC1.
What is the InChIKey of 1-butan-2-yl-N-ethylcyclohexane-1-carboxamide?
The InChIKey is CGGBZUIEPKRGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-11(3)13(12(15)14-5-2)9-7-6-8-10-13/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 1-butan-2-yl-N-ethylcyclohexane-1-carboxamide?
1-butan-2-yl-N-ethylcyclohexane-1-carboxamide has a molecular weight of 211.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 3016624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).