4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide

C14H27NO — CID 71135503

IUPAC4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NC(C)(C)CC)CC1
InChIInChI=1S/C14H27NO/c1-5-11-7-9-12(10-8-11)13(16)15-14(3,4)6-2/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyNMTOSHOVYGKCFD-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.51
Rot. Bonds4

About 4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide

4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 71135503) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide
PubChem CID71135503
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NC(C)(C)CC)CC1
InChIInChI=1S/C14H27NO/c1-5-11-7-9-12(10-8-11)13(16)15-14(3,4)6-2/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyNMTOSHOVYGKCFD-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide (CID 71135503) is 4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide is CCC1CCC(C(=O)NC(C)(C)CC)CC1.
What is the InChIKey of 4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is NMTOSHOVYGKCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-11-7-9-12(10-8-11)13(16)15-14(3,4)6-2/h11-12H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide?
4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 225.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 71135503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).