3-cycloheptyl-2-ethylpent-4-enamide

C14H25NO — CID 174948640

IUPAC3-cycloheptyl-2-ethylpent-4-enamide
SMILESC=CC(C1CCCCCC1)C(CC)C(N)=O
InChIInChI=1S/C14H25NO/c1-3-12(13(4-2)14(15)16)11-9-7-5-6-8-10-11/h3,11-13H,1,4-10H2,2H3,(H2,15,16)
InChIKeyZPHWTXKZQWDZKZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.27
Rot. Bonds5

About 3-cycloheptyl-2-ethylpent-4-enamide

3-cycloheptyl-2-ethylpent-4-enamide (PubChem CID 174948640) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-cycloheptyl-2-ethylpent-4-enamide.

Molecular Properties

Compound Name3-cycloheptyl-2-ethylpent-4-enamide
PubChem CID174948640
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-cycloheptyl-2-ethylpent-4-enamide
SMILESC=CC(C1CCCCCC1)C(CC)C(N)=O
InChIInChI=1S/C14H25NO/c1-3-12(13(4-2)14(15)16)11-9-7-5-6-8-10-11/h3,11-13H,1,4-10H2,2H3,(H2,15,16)
InChIKeyZPHWTXKZQWDZKZ-UHFFFAOYSA-N
XLogP3.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.27
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

dimethyl 2-[(1R)-1-cyclohexylprop-2-enyl]propanedioate
CID 102383216
(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]butanoic acid
CID 94426880
(2S)-3-(cyclopentylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
CID 89068582
(2S)-2-cyclohexylbutanal
CID 88959248
ethyl (3R)-3-[cyclohexyl(hydroxy)methyl]-2-hydroxypent-4-enoate
CID 23778511
methyl 2-[cyclohexyl(methylamino)methyl]butanoate
CID 116960442
2-(1-cyclohexylethylamino)-3-methylbutanamide
CID 103729646
S-[(2S,3S)-3-cyclobutylpent-4-en-2-yl]thiohydroxylamine
CID 163883374
lithium;2-cyclohexylpropanamide;hydride
CID 173193796
2-cycloheptylbutanoic acid
CID 79007061
(2S,3R)-3-(cyclobutylmethyl)-N'-ethyl-2-prop-2-enylbutanediamide
CID 89313443
(2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
CID 70041382

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-2-ethylpent-4-enamide?
The IUPAC name of 3-cycloheptyl-2-ethylpent-4-enamide (CID 174948640) is 3-cycloheptyl-2-ethylpent-4-enamide.
What is the SMILES notation for 3-cycloheptyl-2-ethylpent-4-enamide?
The canonical SMILES for 3-cycloheptyl-2-ethylpent-4-enamide is C=CC(C1CCCCCC1)C(CC)C(N)=O.
What is the InChIKey of 3-cycloheptyl-2-ethylpent-4-enamide?
The InChIKey is ZPHWTXKZQWDZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-12(13(4-2)14(15)16)11-9-7-5-6-8-10-11/h3,11-13H,1,4-10H2,2H3,(H2,15,16).
What are the key properties of 3-cycloheptyl-2-ethylpent-4-enamide?
3-cycloheptyl-2-ethylpent-4-enamide has a molecular weight of 223.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-2-ethylpent-4-enamide is sourced from PubChem (CID 174948640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).