N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide

C18H21NO3 — CID 19778

IUPACN-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide
SMILESCOc1c(C(C)C)ccc(C)c1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H21NO3/c1-11(2)15-10-5-12(3)16(17(15)22-4)18(21)19-13-6-8-14(20)9-7-13/h5-11,20H,1-4H3,(H,19,21)
InChIKeyHGVRPELXKKPPSB-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.08
Rot. Bonds4

About N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide

N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide (PubChem CID 19778) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide
PubChem CID19778
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide
SMILESCOc1c(C(C)C)ccc(C)c1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H21NO3/c1-11(2)15-10-5-12(3)16(17(15)22-4)18(21)19-13-6-8-14(20)9-7-13/h5-11,20H,1-4H3,(H,19,21)
InChIKeyHGVRPELXKKPPSB-UHFFFAOYSA-N
XLogP4.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide (CID 19778) is N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide is COc1c(C(C)C)ccc(C)c1C(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide?
The InChIKey is HGVRPELXKKPPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-11(2)15-10-5-12(3)16(17(15)22-4)18(21)19-13-6-8-14(20)9-7-13/h5-11,20H,1-4H3,(H,19,21).
What are the key properties of N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide?
N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-propan-2-ylbenzamide is sourced from PubChem (CID 19778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).