N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide

C14H25NO — CID 5121995

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H25NO/c1-3-13(4-2)14(16)15-11-10-12-8-6-5-7-9-12/h8,13H,3-7,9-11H2,1-2H3,(H,15,16)
InChIKeyUQLDUVHODWJVPS-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.43
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide (PubChem CID 5121995) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
PubChem CID5121995
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H25NO/c1-3-13(4-2)14(16)15-11-10-12-8-6-5-7-9-12/h8,13H,3-7,9-11H2,1-2H3,(H,15,16)
InChIKeyUQLDUVHODWJVPS-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 64896000
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071
(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 16682053
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide
CID 113010230
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92681312
N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108958156

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide (CID 5121995) is N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide?
The InChIKey is UQLDUVHODWJVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-13(4-2)14(16)15-11-10-12-8-6-5-7-9-12/h8,13H,3-7,9-11H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide has a molecular weight of 223.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 5121995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).