(E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide

C15H22N2O2 — CID 144603121

IUPAC(E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide
SMILESC/C(=C\CN(C)C)C(=O)NC(C)c1ccc(O)cc1
InChIInChI=1S/C15H22N2O2/c1-11(9-10-17(3)4)15(19)16-12(2)13-5-7-14(18)8-6-13/h5-9,12,18H,10H2,1-4H3,(H,16,19)/b11-9+
InChIKeyCHKYJKGIYPZULH-PKNBQFBNSA-N
MW262.35 g/mol
LogP2.08
Rot. Bonds5

About (E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide

(E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide (PubChem CID 144603121) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide
PubChem CID144603121
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide
SMILESC/C(=C\CN(C)C)C(=O)NC(C)c1ccc(O)cc1
InChIInChI=1S/C15H22N2O2/c1-11(9-10-17(3)4)15(19)16-12(2)13-5-7-14(18)8-6-13/h5-9,12,18H,10H2,1-4H3,(H,16,19)/b11-9+
InChIKeyCHKYJKGIYPZULH-PKNBQFBNSA-N
XLogP2.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69395015
[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69394441
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea
CID 125443345
2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide
CID 141483840
N-[1-(4-hydroxyphenyl)ethyl]acetamide;methoxymethane;pyrrolidine
CID 144603083
(Z)-3-methyl-4-oxo-4-(1-phenylethylamino)but-2-enoic acid
CID 56726263
butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate
CID 22382006
4-(dimethylamino)-2-[2-oxo-2-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]but-2-enoic acid
CID 166098842
(E)-2-methyl-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 6247193
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246
3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide (CID 144603121) is (E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide is C/C(=C\CN(C)C)C(=O)NC(C)c1ccc(O)cc1.
What is the InChIKey of (E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide?
The InChIKey is CHKYJKGIYPZULH-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(9-10-17(3)4)15(19)16-12(2)13-5-7-14(18)8-6-13/h5-9,12,18H,10H2,1-4H3,(H,16,19)/b11-9+.
What are the key properties of (E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide?
(E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide has a molecular weight of 262.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[1-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide is sourced from PubChem (CID 144603121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).