N-methoxy-2-(4-methylphenyl)prop-2-enamide

C11H13NO2 — CID 166438497

IUPACN-methoxy-2-(4-methylphenyl)prop-2-enamide
SMILESC=C(C(=O)NOC)c1ccc(C)cc1
InChIInChI=1S/C11H13NO2/c1-8-4-6-10(7-5-8)9(2)11(13)12-14-3/h4-7H,2H2,1,3H3,(H,12,13)
InChIKeyXGRDZAKQXDXYER-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.69
Rot. Bonds3

About N-methoxy-2-(4-methylphenyl)prop-2-enamide

N-methoxy-2-(4-methylphenyl)prop-2-enamide (PubChem CID 166438497) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-methoxy-2-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-methoxy-2-(4-methylphenyl)prop-2-enamide
PubChem CID166438497
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-methoxy-2-(4-methylphenyl)prop-2-enamide
SMILESC=C(C(=O)NOC)c1ccc(C)cc1
InChIInChI=1S/C11H13NO2/c1-8-4-6-10(7-5-8)9(2)11(13)12-14-3/h4-7H,2H2,1,3H3,(H,12,13)
InChIKeyXGRDZAKQXDXYER-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
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

N-methoxy-1-(4-methylphenyl)ethenamine
CID 56975753
N-methoxy-2-pyrimidin-5-ylprop-2-enamide
CID 176582962
N-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)prop-2-enamide
CID 166438086
2-(4-methylphenyl)prop-2-enoyl fluoride
CID 175147814
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide
CID 70360767
1,2-bis(4-methylphenyl)prop-2-en-1-one;molecular hydrogen
CID 144635959
1-[3,4-dimethylidene-5-(4-methylphenyl)hexa-1,5-dien-2-yl]-4-methoxybenzene
CID 162401228
prop-2-enoxymethyl 2-(4-methylphenyl)prop-2-enoate
CID 140574419
benzyl 2-phenylprop-2-enoate;ethyl 2-(4-methylphenyl)prop-2-enoate;ethyl 2-phenylprop-2-enoate;methane;methyl 2-phenylprop-2-enoate
CID 160594780
2-[(2Z)-2-methyl-1-(methylamino)-3,4-bis(4-methylphenyl)penta-2,4-dienyl]sulfanylpropanamide
CID 176689435

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(4-methylphenyl)prop-2-enamide?
The IUPAC name of N-methoxy-2-(4-methylphenyl)prop-2-enamide (CID 166438497) is N-methoxy-2-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-methoxy-2-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for N-methoxy-2-(4-methylphenyl)prop-2-enamide is C=C(C(=O)NOC)c1ccc(C)cc1.
What is the InChIKey of N-methoxy-2-(4-methylphenyl)prop-2-enamide?
The InChIKey is XGRDZAKQXDXYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-4-6-10(7-5-8)9(2)11(13)12-14-3/h4-7H,2H2,1,3H3,(H,12,13).
What are the key properties of N-methoxy-2-(4-methylphenyl)prop-2-enamide?
N-methoxy-2-(4-methylphenyl)prop-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 166438497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).