(E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide

C15H21NO2 — CID 53243304

IUPAC(E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide
SMILESCCC(C)CNC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C15H21NO2/c1-4-12(2)11-16-15(17)10-7-13-5-8-14(18-3)9-6-13/h5-10,12H,4,11H2,1-3H3,(H,16,17)/b10-7+
InChIKeyQUONVKCZQQVJAX-JXMROGBWSA-N
MW247.34 g/mol
LogP2.87
Rot. Bonds6

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

(E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide (PubChem CID 53243304) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide
PubChem CID53243304
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide
SMILESCCC(C)CNC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C15H21NO2/c1-4-12(2)11-16-15(17)10-7-13-5-8-14(18-3)9-6-13/h5-10,12H,4,11H2,1-3H3,(H,16,17)/b10-7+
InChIKeyQUONVKCZQQVJAX-JXMROGBWSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.87
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-(2-hydroxy-3-methylbutyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 115746094
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 3985990
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
N-hydroxy-4-[(2R)-1-[3-(4-methoxyphenyl)prop-2-enoylamino]propan-2-yl]oxybenzamide
CID 90817145
2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 3401706
(E)-3-(4-hydroxyphenyl)-N-[(2S)-2-methoxy-2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 11186462
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6434079
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 897847
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 2097972

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide (CID 53243304) is (E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide is CCC(C)CNC(=O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide?
The InChIKey is QUONVKCZQQVJAX-JXMROGBWSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-12(2)11-16-15(17)10-7-13-5-8-14(18-3)9-6-13/h5-10,12H,4,11H2,1-3H3,(H,16,17)/b10-7+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(2-methylbutyl)prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.87, 6 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-methylbutyl)prop-2-enamide is sourced from PubChem (CID 53243304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).