(E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide

C15H21NO2 — CID 46554675

IUPAC(E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
SMILESCCC(C)(C)NC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C15H21NO2/c1-5-15(2,3)16-14(17)11-8-12-6-9-13(18-4)10-7-12/h6-11H,5H2,1-4H3,(H,16,17)/b11-8+
InChIKeyPSPBACVAWJONAR-DHZHZOJOSA-N
MW247.34 g/mol
LogP3.01
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide (PubChem CID 46554675) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
PubChem CID46554675
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
SMILESCCC(C)(C)NC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C15H21NO2/c1-5-15(2,3)16-14(17)11-8-12-6-9-13(18-4)10-7-12/h6-11H,5H2,1-4H3,(H,16,17)/b11-8+
InChIKeyPSPBACVAWJONAR-DHZHZOJOSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.01
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-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 5355141
(E)-3-(4-cyanophenyl)-N-(2-methylbutan-2-yl)prop-2-enamide
CID 47128956
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
(E)-1-(4-methoxyphenyl)-4,4-dimethylhex-1-en-3-one
CID 153307172
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-methylbutan-2-yl)prop-2-enamide
CID 2120392
tert-butyl N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]carbamate
CID 165340759
(E)-3-[4-(dimethylamino)phenyl]-N-[2-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 110440834
2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 3401706
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide
CID 2791771

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide (CID 46554675) is (E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide is CCC(C)(C)NC(=O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide?
The InChIKey is PSPBACVAWJONAR-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-15(2,3)16-14(17)11-8-12-6-9-13(18-4)10-7-12/h6-11H,5H2,1-4H3,(H,16,17)/b11-8+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 46554675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).