4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide

C17H18N2O3 — CID 123178559

IUPAC4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-12(20)18-15-7-5-14(6-8-15)17(22)19(2)11-13-3-9-16(21)10-4-13/h3-10,21H,11H2,1-2H3,(H,18,20)
InChIKeyVUGCFPHBSIITFI-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.62
Rot. Bonds4

About 4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide

4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide (PubChem CID 123178559) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
PubChem CID123178559
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-12(20)18-15-7-5-14(6-8-15)17(22)19(2)11-13-3-9-16(21)10-4-13/h3-10,21H,11H2,1-2H3,(H,18,20)
InChIKeyVUGCFPHBSIITFI-UHFFFAOYSA-N
XLogP2.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide
CID 119048371
4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110745532
N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 139950958
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995
N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 91710939
4-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 26069791
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104629381
N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 31987516
N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 131842101

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide (CID 123178559) is 4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide is CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is VUGCFPHBSIITFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(20)18-15-7-5-14(6-8-15)17(22)19(2)11-13-3-9-16(21)10-4-13/h3-10,21H,11H2,1-2H3,(H,18,20).
What are the key properties of 4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide?
4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 298.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 123178559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).