N-cyclohexyl-2-ethylbutanamide

C12H23NO — CID 3617883

IUPACN-cyclohexyl-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCCCC1
InChIInChI=1S/C12H23NO/c1-3-10(4-2)12(14)13-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyDTNGVTVVMAMENM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.87
Rot. Bonds4

About N-cyclohexyl-2-ethylbutanamide

N-cyclohexyl-2-ethylbutanamide (PubChem CID 3617883) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-cyclohexyl-2-ethylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ethylbutanamide
PubChem CID3617883
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-cyclohexyl-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC1CCCCC1
InChIInChI=1S/C12H23NO/c1-3-10(4-2)12(14)13-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyDTNGVTVVMAMENM-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethylbutanamide?
The IUPAC name of N-cyclohexyl-2-ethylbutanamide (CID 3617883) is N-cyclohexyl-2-ethylbutanamide.
What is the SMILES notation for N-cyclohexyl-2-ethylbutanamide?
The canonical SMILES for N-cyclohexyl-2-ethylbutanamide is CCC(CC)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-ethylbutanamide?
The InChIKey is DTNGVTVVMAMENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-10(4-2)12(14)13-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-cyclohexyl-2-ethylbutanamide?
N-cyclohexyl-2-ethylbutanamide has a molecular weight of 197.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethylbutanamide is sourced from PubChem (CID 3617883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).