2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide

C13H23NO — CID 89093747

IUPAC2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide
SMILESC=C(C)CC(CCC1CC1)C(=O)NCC
InChIInChI=1S/C13H23NO/c1-4-14-13(15)12(9-10(2)3)8-7-11-5-6-11/h11-12H,2,4-9H2,1,3H3,(H,14,15)
InChIKeyJSRYBVKXFLSCNQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.90
Rot. Bonds7

About 2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide

2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide (PubChem CID 89093747) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide
PubChem CID89093747
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide
SMILESC=C(C)CC(CCC1CC1)C(=O)NCC
InChIInChI=1S/C13H23NO/c1-4-14-13(15)12(9-10(2)3)8-7-11-5-6-11/h11-12H,2,4-9H2,1,3H3,(H,14,15)
InChIKeyJSRYBVKXFLSCNQ-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.90
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

N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide
CID 89093050
2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide
CID 70910476
5-(2-cyclopentylethyl)-2,7-dimethyloct-7-en-4-one
CID 59143609
(2S,3R)-2-(2-cyclopropylethyl)-3-(cyclopropylmethyl)-N'-ethylbutanediamide
CID 71148603
N'-tert-butyl-2-(2-cyclopropylethyl)-3-(2-methylprop-2-enyl)butanediamide
CID 22972626
3-(ethylcarbamoyl)hexanoic acid
CID 112515142
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
1-[3-cyclopropyl-1-(ethylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 71050551
N-ethyl-4-methyl-2-prop-2-enoxypent-4-enamide
CID 89093020
3-cyclopropyl-N-ethyl-2-prop-2-enoxypropanamide
CID 89093021
5-(2-cyclopropylethyl)-2,2,7,7-tetramethyloctan-4-one
CID 59143481
sodium 2-(2-cyclohexylethyl)pentanoate
CID 23662839

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide?
The IUPAC name of 2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide (CID 89093747) is 2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide.
What is the SMILES notation for 2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide?
The canonical SMILES for 2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide is C=C(C)CC(CCC1CC1)C(=O)NCC.
What is the InChIKey of 2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide?
The InChIKey is JSRYBVKXFLSCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-14-13(15)12(9-10(2)3)8-7-11-5-6-11/h11-12H,2,4-9H2,1,3H3,(H,14,15).
What are the key properties of 2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide?
2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide has a molecular weight of 209.33 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide is sourced from PubChem (CID 89093747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).