N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide

C12H15NO2 — CID 134123045

IUPACN-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(C)c(OC)c1
InChIInChI=1S/C12H15NO2/c1-8(2)12(14)13-10-6-5-9(3)11(7-10)15-4/h5-7H,1H2,2-4H3,(H,13,14)
InChIKeyQTALYVLWGWEONP-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.52
Rot. Bonds3

About N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide

N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide (PubChem CID 134123045) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide
PubChem CID134123045
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(C)c(OC)c1
InChIInChI=1S/C12H15NO2/c1-8(2)12(14)13-10-6-5-9(3)11(7-10)15-4/h5-7H,1H2,2-4H3,(H,13,14)
InChIKeyQTALYVLWGWEONP-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524
N-[4-(3-methoxy-4-methylanilino)phenyl]-3-oxobutanamide
CID 110179860
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid
CID 88887347
N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide
CID 139949996
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
2-methyl-N-(2-methyl-4-pyridinyl)prop-2-enamide
CID 174936648
N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-methylprop-2-enamide
CID 175097026
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide?
The IUPAC name of N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide (CID 134123045) is N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(C)c(OC)c1.
What is the InChIKey of N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide?
The InChIKey is QTALYVLWGWEONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)12(14)13-10-6-5-9(3)11(7-10)15-4/h5-7H,1H2,2-4H3,(H,13,14).
What are the key properties of N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide?
N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 134123045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).