(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide

C17H26N2O2 — CID 110008146

IUPAC(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide
SMILESC/C(=C\c1ccc(C)cc1)C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C17H26N2O2/c1-13-6-8-15(9-7-13)10-14(2)16(20)18-11-17(3,21)12-19(4)5/h6-10,21H,11-12H2,1-5H3,(H,18,20)/b14-10+
InChIKeyOPDHICQAJACKRD-GXDHUFHOSA-N
MW290.41 g/mol
LogP1.83
Rot. Bonds6

About (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide

(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide (PubChem CID 110008146) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide
PubChem CID110008146
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide
SMILESC/C(=C\c1ccc(C)cc1)C(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C17H26N2O2/c1-13-6-8-15(9-7-13)10-14(2)16(20)18-11-17(3,21)12-19(4)5/h6-10,21H,11-12H2,1-5H3,(H,18,20)/b14-10+
InChIKeyOPDHICQAJACKRD-GXDHUFHOSA-N
XLogP1.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cinnamamide, N-(2-hydroxypropyl)-
CID 6434084
2,4-Hexadienamide, N-(2-hydroxy-2-methylpropyl)-6-phenyl-, (E,E)-
CID 6449397
(E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide
CID 43419211
4-hydroxy-1-methyl-5-oxo-N-(2-phenylethyl)-2H-pyrrole-3-carboxamide
CID 89489375
4-hydroxy-1-methyl-5-oxo-N-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
CID 90302077
Piriferinol
CID 10709495
(E)-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide
CID 11722349
Cinnamamide, N-(2-hydroxyethyl)-4-methyl-
CID 6434097
(E)-N-(2-hydroxypropyl)-3-(4-methylphenyl)prop-2-enamide
CID 43418501
(E)-N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 93041601
(E)-N-(2-hydroxybutyl)-3-phenylprop-2-enamide
CID 116242401
(E)-N-(2-hydroxybutyl)-3-(4-methylphenyl)prop-2-enamide
CID 113492657

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide (CID 110008146) is (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide is C/C(=C\c1ccc(C)cc1)C(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is OPDHICQAJACKRD-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-8-15(9-7-13)10-14(2)16(20)18-11-17(3,21)12-19(4)5/h6-10,21H,11-12H2,1-5H3,(H,18,20)/b14-10+.
What are the key properties of (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 290.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methyl-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 110008146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).