(E)-N',2-dimethyl-N-phenylbut-2-enediamide

C12H14N2O2 — CID 69341649

IUPAC(E)-N',2-dimethyl-N-phenylbut-2-enediamide
SMILESCNC(=O)/C=C(\C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H14N2O2/c1-9(8-11(15)13-2)12(16)14-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,15)(H,14,16)/b9-8+
InChIKeyWOGUKLBRSPNTBY-CMDGGOBGSA-N
MW218.26 g/mol
LogP1.32
Rot. Bonds3

About (E)-N',2-dimethyl-N-phenylbut-2-enediamide

(E)-N',2-dimethyl-N-phenylbut-2-enediamide (PubChem CID 69341649) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (E)-N',2-dimethyl-N-phenylbut-2-enediamide.

Molecular Properties

Compound Name(E)-N',2-dimethyl-N-phenylbut-2-enediamide
PubChem CID69341649
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(E)-N',2-dimethyl-N-phenylbut-2-enediamide
SMILESCNC(=O)/C=C(\C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H14N2O2/c1-9(8-11(15)13-2)12(16)14-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,15)(H,14,16)/b9-8+
InChIKeyWOGUKLBRSPNTBY-CMDGGOBGSA-N
XLogP1.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methyl-4-oxo-4-(4-phenylanilino)but-2-enoic acid
CID 19133057
(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide
CID 70960210
(Z)-4-anilino-2-methyl-4-oxobut-2-enethioic S-acid
CID 88841079
(E)-2,4,4-trimethyl-N-phenylpent-2-enamide
CID 14383795
N-[4-[(4-amino-2-methyl-4-oxobut-2-enoyl)amino]phenyl]-2-methylbut-2-enediamide
CID 54379503
(2E,4Z)-4-amino-5-methoxy-2-methyl-N-phenylhepta-2,4,6-trienamide
CID 142926888
(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide
CID 59498038
(Z)-3-(methylamino)-N,3-diphenylprop-2-enamide
CID 25157764
(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide
CID 60587211
acetyl bromide;N-phenylacetamide
CID 175285562
(E)-3-anilinobut-2-enoic acid
CID 89350388
cobalt;N-phenylacetamide
CID 158689050

Frequently Asked Questions

What is the IUPAC name of (E)-N',2-dimethyl-N-phenylbut-2-enediamide?
The IUPAC name of (E)-N',2-dimethyl-N-phenylbut-2-enediamide (CID 69341649) is (E)-N',2-dimethyl-N-phenylbut-2-enediamide.
What is the SMILES notation for (E)-N',2-dimethyl-N-phenylbut-2-enediamide?
The canonical SMILES for (E)-N',2-dimethyl-N-phenylbut-2-enediamide is CNC(=O)/C=C(\C)C(=O)Nc1ccccc1.
What is the InChIKey of (E)-N',2-dimethyl-N-phenylbut-2-enediamide?
The InChIKey is WOGUKLBRSPNTBY-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(8-11(15)13-2)12(16)14-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,15)(H,14,16)/b9-8+.
What are the key properties of (E)-N',2-dimethyl-N-phenylbut-2-enediamide?
(E)-N',2-dimethyl-N-phenylbut-2-enediamide has a molecular weight of 218.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N',2-dimethyl-N-phenylbut-2-enediamide is sourced from PubChem (CID 69341649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).