N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide

C11H13NO3 — CID 139949996

IUPACN-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(O)ccc1OC
InChIInChI=1S/C11H13NO3/c1-7(2)11(14)12-9-6-8(13)4-5-10(9)15-3/h4-6,13H,1H2,2-3H3,(H,12,14)
InChIKeyNNJBRNGKWVDTQJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.92
Rot. Bonds3

About N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide

N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide (PubChem CID 139949996) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide
PubChem CID139949996
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(O)ccc1OC
InChIInChI=1S/C11H13NO3/c1-7(2)11(14)12-9-6-8(13)4-5-10(9)15-3/h4-6,13H,1H2,2-3H3,(H,12,14)
InChIKeyNNJBRNGKWVDTQJ-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide
CID 139950006
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
N-(3-methoxy-4-methylphenyl)-2-methylprop-2-enamide
CID 134123045
N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
CID 59524572
methyl 2-(2-methylprop-2-enoylamino)benzoate
CID 23293368
N-(5-iodo-2-methoxyphenyl)acetamide
CID 11737859
1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
CID 108910159
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
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CID 108502150

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide?
The IUPAC name of N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide (CID 139949996) is N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1cc(O)ccc1OC.
What is the InChIKey of N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide?
The InChIKey is NNJBRNGKWVDTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(2)11(14)12-9-6-8(13)4-5-10(9)15-3/h4-6,13H,1H2,2-3H3,(H,12,14).
What are the key properties of N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide?
N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide has a molecular weight of 207.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 139949996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).