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

C11H13NO3 — CID 139950006

IUPACN-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(OC)ccc1O
InChIInChI=1S/C11H13NO3/c1-7(2)11(14)12-9-6-8(15-3)4-5-10(9)13/h4-6,13H,1H2,2-3H3,(H,12,14)
InChIKeyPEZYSJPZRQDYLV-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.92
Rot. Bonds3

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

N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide (PubChem CID 139950006) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide
PubChem CID139950006
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(OC)ccc1O
InChIInChI=1S/C11H13NO3/c1-7(2)11(14)12-9-6-8(15-3)4-5-10(9)13/h4-6,13H,1H2,2-3H3,(H,12,14)
InChIKeyPEZYSJPZRQDYLV-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': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
2-(azetidin-3-ylidene)-N-(2-hydroxy-5-methoxyphenyl)propanamide
CID 102695737
N-(5-hydroxy-2-methoxyphenyl)-2-methylprop-2-enamide
CID 139949996
N-[4-chloro-2-(4-methoxybenzoyl)phenyl]-2-methylprop-2-enamide
CID 130352475
1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea
CID 139743679
(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide
CID 107570852
3-(ethylamino)-N-(2-hydroxy-5-methoxyphenyl)-2-methylpropanamide
CID 102695614
N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 71852534
tris[4-chloro-3-(2-methylprop-2-enoylamino)phenyl] phosphate
CID 68545570
4-(2-aminoethyl)-N-(2-hydroxy-5-methoxyphenyl)benzamide
CID 102695549
3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide
CID 100626148
N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 17100301

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide (CID 139950006) is N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide is C=C(C)C(=O)Nc1cc(OC)ccc1O.
What is the InChIKey of N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide?
The InChIKey is PEZYSJPZRQDYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(2)11(14)12-9-6-8(15-3)4-5-10(9)13/h4-6,13H,1H2,2-3H3,(H,12,14).
What are the key properties of N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide?
N-(2-hydroxy-5-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-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 139950006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).