N-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide

C18H20N2O4 — CID 4593720

IUPACN-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCOc1cc(C(NC=O)C(=O)Nc2c(C)cccc2C)ccc1O
InChIInChI=1S/C18H20N2O4/c1-11-5-4-6-12(2)16(11)20-18(23)17(19-10-21)13-7-8-14(22)15(9-13)24-3/h4-10,17,22H,1-3H3,(H,19,21)(H,20,23)
InChIKeyDFFGUTCGDYLNEA-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.44
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide

N-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide (PubChem CID 4593720) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide
PubChem CID4593720
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCOc1cc(C(NC=O)C(=O)Nc2c(C)cccc2C)ccc1O
InChIInChI=1S/C18H20N2O4/c1-11-5-4-6-12(2)16(11)20-18(23)17(19-10-21)13-7-8-14(22)15(9-13)24-3/h4-10,17,22H,1-3H3,(H,19,21)(H,20,23)
InChIKeyDFFGUTCGDYLNEA-UHFFFAOYSA-N
XLogP2.44
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide (CID 4593720) is N-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide is COc1cc(C(NC=O)C(=O)Nc2c(C)cccc2C)ccc1O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The InChIKey is DFFGUTCGDYLNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-5-4-6-12(2)16(11)20-18(23)17(19-10-21)13-7-8-14(22)15(9-13)24-3/h4-10,17,22H,1-3H3,(H,19,21)(H,20,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide?
N-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-formamido-2-(4-hydroxy-3-methoxyphenyl)acetamide is sourced from PubChem (CID 4593720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).