(Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide

C12H15NO2 — CID 134920694

IUPAC(Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide
SMILESCON(C)C(=O)/C=C(/C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(9-12(14)13(2)15-3)11-7-5-4-6-8-11/h4-9H,1-3H3/b10-9-
InChIKeyOSGXJPCOXWFQPF-KTKRTIGZSA-N
MW205.26 g/mol
LogP2.11
Rot. Bonds3

About (Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide

(Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide (PubChem CID 134920694) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide
PubChem CID134920694
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide
SMILESCON(C)C(=O)/C=C(/C)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-10(9-12(14)13(2)15-3)11-7-5-4-6-8-11/h4-9H,1-3H3/b10-9-
InChIKeyOSGXJPCOXWFQPF-KTKRTIGZSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methoxy-N-methyl-3-phenylpent-2-enamide
CID 135086786
(E)-N-methyl-N,3-diphenylbut-2-enamide
CID 11032331
N-methyl-N-(3-phenylbut-2-enoyl)carbamoyl chloride
CID 173432083
(E)-N-methyl-N-[4-[methyl-[(E)-3-phenylbut-2-enoyl]amino]butyl]-3-phenylbut-2-enamide
CID 166209803
methyl (E)-3-phenylbut-2-enoate
CID 5354835
4-phenylpent-3-en-2-one
CID 594380
(E)-3-(2,4-dimethylphenyl)-N-methoxy-N-methyl-3-phenylprop-2-enamide
CID 102455736
ethane;4-phenylpent-3-en-2-one
CID 123324566
3-phenylbut-2-enoate
CID 6995278
3-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
CID 10609722
(E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide
CID 122390522
1-chloro-4-phenylpent-3-en-2-one
CID 88656703

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide?
The IUPAC name of (Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide (CID 134920694) is (Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide.
What is the SMILES notation for (Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide?
The canonical SMILES for (Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide is CON(C)C(=O)/C=C(/C)c1ccccc1.
What is the InChIKey of (Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide?
The InChIKey is OSGXJPCOXWFQPF-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(9-12(14)13(2)15-3)11-7-5-4-6-8-11/h4-9H,1-3H3/b10-9-.
What are the key properties of (Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide?
(Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide is sourced from PubChem (CID 134920694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).