(Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide

C14H17NO — CID 3033129

IUPAC(Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide
SMILESC=CCNC(=O)/C(C)=C(/C)c1ccccc1
InChIInChI=1S/C14H17NO/c1-4-10-15-14(16)12(3)11(2)13-8-6-5-7-9-13/h4-9H,1,10H2,2-3H3,(H,15,16)/b12-11-
InChIKeyGCLBGKOMNXDAFZ-QXMHVHEDSA-N
MW215.30 g/mol
LogP2.78
Rot. Bonds4

About (Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide

(Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide (PubChem CID 3033129) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide
PubChem CID3033129
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide
SMILESC=CCNC(=O)/C(C)=C(/C)c1ccccc1
InChIInChI=1S/C14H17NO/c1-4-10-15-14(16)12(3)11(2)13-8-6-5-7-9-13/h4-9H,1,10H2,2-3H3,(H,15,16)/b12-11-
InChIKeyGCLBGKOMNXDAFZ-QXMHVHEDSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dioxo-4-phenyl-N-prop-2-enylbutanamide
CID 24834538
(E)-3-phenyl-N-prop-2-enylbut-2-enamide
CID 6435359
N'-[(Z)-4-phenylbutan-2-ylideneamino]-N-prop-2-enyloxamide
CID 94833681
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
N'-benzyl-N'-methyl-N-prop-2-enyloxamide
CID 108518780
(Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide
CID 19629150
N-[1-[4-(dimethylamino)phenyl]-3-oxo-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide
CID 3093528
[3-benzoyloxy-1,4-dioxo-1,4-bis(prop-2-enylamino)butan-2-yl] benzoate
CID 18330840
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
CID 87714172
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
N-(3-hydroxy-3-phenylpropyl)-N'-prop-2-enyloxamide
CID 90499658
2-methyl-N-prop-2-enylhexa-2,5-dienamide
CID 174329237

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide?
The IUPAC name of (Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide (CID 3033129) is (Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide.
What is the SMILES notation for (Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide?
The canonical SMILES for (Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide is C=CCNC(=O)/C(C)=C(/C)c1ccccc1.
What is the InChIKey of (Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide?
The InChIKey is GCLBGKOMNXDAFZ-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-10-15-14(16)12(3)11(2)13-8-6-5-7-9-13/h4-9H,1,10H2,2-3H3,(H,15,16)/b12-11-.
What are the key properties of (Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide?
(Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide has a molecular weight of 215.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide is sourced from PubChem (CID 3033129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).