(E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene

C18H25NO3 — CID 23364974

IUPAC(E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene
SMILESC/C=C(\C)C(N)=O.C=C(C)C(=O)OC.C=Cc1ccccc1
InChIInChI=1S/C8H8.C5H9NO.C5H8O2/c1-2-8-6-4-3-5-7-8;1-3-4(2)5(6)7;1-4(2)5(6)7-3/h2-7H,1H2;3H,1-2H3,(H2,6,7);1H2,2-3H3/b;4-3+;
InChIKeyROOOEYDEYCOMDB-ITDJAWRYSA-N
MW303.40 g/mol
LogP3.50
Rot. Bonds3

About (E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene

(E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene (PubChem CID 23364974) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene.

Molecular Properties

Compound Name(E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene
PubChem CID23364974
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene
SMILESC/C=C(\C)C(N)=O.C=C(C)C(=O)OC.C=Cc1ccccc1
InChIInChI=1S/C8H8.C5H9NO.C5H8O2/c1-2-8-6-4-3-5-7-8;1-3-4(2)5(6)7;1-4(2)5(6)7-3/h2-7H,1H2;3H,1-2H3,(H2,6,7);1H2,2-3H3/b;4-3+;
InChIKeyROOOEYDEYCOMDB-ITDJAWRYSA-N
XLogP3.50
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene 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

benzene;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 159846921
(Z)-but-2-enedioic acid;methyl 2-methylprop-2-enoate;styrene
CID 70445514
methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene
CID 175334987
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
1-chloroprop-2-enylbenzene;methyl 2-methylprop-2-enoate;styrene
CID 158716634
1,2-bis(ethenyl)benzene;methyl 2-methylprop-2-enoate;prop-2-enenitrile;styrene
CID 6454412
(2S)-2-amino-3-hydroxypropanoic acid;buta-1,3-diene;methyl 2-methylprop-2-enoate;styrene
CID 173200014
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid;styrene
CID 161285099
5-(2-hydroxyethoxycarbonyl)-2-methylhexa-2,5-dienoic acid;methyl 2-methylprop-2-enoate;styrene
CID 118105806
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;prop-2-enamide;styrene
CID 160851195
bis(2-methylprop-2-enoyl) (Z)-but-2-enedioate;styrene
CID 87485822
ethane;2-methylprop-2-enoic acid;styrene
CID 174478215

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene?
The IUPAC name of (E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene (CID 23364974) is (E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene.
What is the SMILES notation for (E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene?
The canonical SMILES for (E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene is C/C=C(\C)C(N)=O.C=C(C)C(=O)OC.C=Cc1ccccc1.
What is the InChIKey of (E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene?
The InChIKey is ROOOEYDEYCOMDB-ITDJAWRYSA-N. The full InChI is InChI=1S/C8H8.C5H9NO.C5H8O2/c1-2-8-6-4-3-5-7-8;1-3-4(2)5(6)7;1-4(2)5(6)7-3/h2-7H,1H2;3H,1-2H3,(H2,6,7);1H2,2-3H3/b;4-3+;.
What are the key properties of (E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene?
(E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene has a molecular weight of 303.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene is sourced from PubChem (CID 23364974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).