N-(2-methoxyphenyl)-3-methylbut-2-enamide

C12H15NO2 — CID 19177446

IUPACN-(2-methoxyphenyl)-3-methylbut-2-enamide
SMILESCOc1ccccc1NC(=O)C=C(C)C
InChIInChI=1S/C12H15NO2/c1-9(2)8-12(14)13-10-6-4-5-7-11(10)15-3/h4-8H,1-3H3,(H,13,14)
InChIKeySJOTURVLBORQCQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.60
Rot. Bonds3

About N-(2-methoxyphenyl)-3-methylbut-2-enamide

N-(2-methoxyphenyl)-3-methylbut-2-enamide (PubChem CID 19177446) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-methylbut-2-enamide
PubChem CID19177446
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(2-methoxyphenyl)-3-methylbut-2-enamide
SMILESCOc1ccccc1NC(=O)C=C(C)C
InChIInChI=1S/C12H15NO2/c1-9(2)8-12(14)13-10-6-4-5-7-11(10)15-3/h4-8H,1-3H3,(H,13,14)
InChIKeySJOTURVLBORQCQ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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

2-[2-(3-methylbut-2-enoylamino)phenoxy]acetic acid
CID 55241875
(Z)-4-(2-methoxyanilino)pent-3-en-2-one
CID 102222000
methyl (E)-4-(2-methoxyanilino)-4-oxobut-2-enoate
CID 851837
2-imino-N-(2-methoxyphenyl)acetamide
CID 145295181
(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide
CID 17358788
ethane;(2-methoxyphenyl)urea
CID 143063924
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbut-2-enamide
CID 19177485
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
(E)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
CID 9453588
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-methylbut-2-enamide?
The IUPAC name of N-(2-methoxyphenyl)-3-methylbut-2-enamide (CID 19177446) is N-(2-methoxyphenyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-methylbut-2-enamide is COc1ccccc1NC(=O)C=C(C)C.
What is the InChIKey of N-(2-methoxyphenyl)-3-methylbut-2-enamide?
The InChIKey is SJOTURVLBORQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(2)8-12(14)13-10-6-4-5-7-11(10)15-3/h4-8H,1-3H3,(H,13,14).
What are the key properties of N-(2-methoxyphenyl)-3-methylbut-2-enamide?
N-(2-methoxyphenyl)-3-methylbut-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-methylbut-2-enamide is sourced from PubChem (CID 19177446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).