(E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide

C18H25NO2 — CID 56559146

IUPAC(E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)NC2CCCOC2)cc1
InChIInChI=1S/C18H25NO2/c1-18(2,3)15-9-6-14(7-10-15)8-11-17(20)19-16-5-4-12-21-13-16/h6-11,16H,4-5,12-13H2,1-3H3,(H,19,20)/b11-8+
InChIKeyMFQZSVZERYFYDG-DHZHZOJOSA-N
MW287.40 g/mol
LogP3.29
Rot. Bonds3

About (E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide (PubChem CID 56559146) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide
PubChem CID56559146
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)NC2CCCOC2)cc1
InChIInChI=1S/C18H25NO2/c1-18(2,3)15-9-6-14(7-10-15)8-11-17(20)19-16-5-4-12-21-13-16/h6-11,16H,4-5,12-13H2,1-3H3,(H,19,20)/b11-8+
InChIKeyMFQZSVZERYFYDG-DHZHZOJOSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.29
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)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
CID 1322783
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide
CID 103597803
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 19167042
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-N-cyclopentyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 26697363
N-(oxan-3-yl)acetamide
CID 55285282
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide (CID 56559146) is (E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide is CC(C)(C)c1ccc(/C=C/C(=O)NC2CCCOC2)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide?
The InChIKey is MFQZSVZERYFYDG-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(2,3)15-9-6-14(7-10-15)8-11-17(20)19-16-5-4-12-21-13-16/h6-11,16H,4-5,12-13H2,1-3H3,(H,19,20)/b11-8+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide has a molecular weight of 287.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide is sourced from PubChem (CID 56559146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).