(E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide

C18H25NO2 — CID 114550303

IUPAC(E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C18H25NO2/c1-4-21-16-8-6-5-7-14(16)9-10-17(20)19-15-11-12-18(2,3)13-15/h5-10,15H,4,11-13H2,1-3H3,(H,19,20)/b10-9+
InChIKeyKJNFPKGMLQZMCB-MDZDMXLPSA-N
MW287.40 g/mol
LogP3.79
Rot. Bonds5

About (E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide

(E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide (PubChem CID 114550303) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide
PubChem CID114550303
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C18H25NO2/c1-4-21-16-8-6-5-7-14(16)9-10-17(20)19-15-11-12-18(2,3)13-15/h5-10,15H,4,11-13H2,1-3H3,(H,19,20)/b10-9+
InChIKeyKJNFPKGMLQZMCB-MDZDMXLPSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
(E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide
CID 19201438
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide
CID 83203007
1-[[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449820
(E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide
CID 114550368
(E)-3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 114550381
(E)-3-(2-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
CID 9227551
(E)-3-(2-ethoxyphenyl)-N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide
CID 103279773
[1-(cyclopentylamino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 42986018

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide (CID 114550303) is (E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide is CCOc1ccccc1/C=C/C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of (E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide?
The InChIKey is KJNFPKGMLQZMCB-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-21-16-8-6-5-7-14(16)9-10-17(20)19-15-11-12-18(2,3)13-15/h5-10,15H,4,11-13H2,1-3H3,(H,19,20)/b10-9+.
What are the key properties of (E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide?
(E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide has a molecular weight of 287.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 114550303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).