N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide

C22H35NO2 — CID 21321041

IUPACN-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(C(C)(C)C(C)C)c(O)c(C(C)(C)C(C)C)c1
InChIInChI=1S/C22H35NO2/c1-13(2)20(25)23-16-11-17(21(7,8)14(3)4)19(24)18(12-16)22(9,10)15(5)6/h11-12,14-15,24H,1H2,2-10H3,(H,23,25)
InChIKeyFYELAQCTUCZEQL-UHFFFAOYSA-N
MW345.53 g/mol
LogP5.77
Rot. Bonds6

About N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide

N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide (PubChem CID 21321041) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide
PubChem CID21321041
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC NameN-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1cc(C(C)(C)C(C)C)c(O)c(C(C)(C)C(C)C)c1
InChIInChI=1S/C22H35NO2/c1-13(2)20(25)23-16-11-17(21(7,8)14(3)4)19(24)18(12-16)22(9,10)15(5)6/h11-12,14-15,24H,1H2,2-10H3,(H,23,25)
InChIKeyFYELAQCTUCZEQL-UHFFFAOYSA-N
XLogP5.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide (CID 21321041) is N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1cc(C(C)(C)C(C)C)c(O)c(C(C)(C)C(C)C)c1.
What is the InChIKey of N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide?
The InChIKey is FYELAQCTUCZEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2/c1-13(2)20(25)23-16-11-17(21(7,8)14(3)4)19(24)18(12-16)22(9,10)15(5)6/h11-12,14-15,24H,1H2,2-10H3,(H,23,25).
What are the key properties of N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide?
N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide has a molecular weight of 345.53 g/mol, XLogP of 5.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 21321041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).