N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide

C20H22N2O4 — CID 18154107

IUPACN-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H22N2O4/c1-13(23)16-6-9-19(26-3)17(10-16)11-20(25)21-12-15-4-7-18(8-5-15)22-14(2)24/h4-10H,11-12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyLBWFXSWKIVVUPE-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.72
Rot. Bonds7

About N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide

N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide (PubChem CID 18154107) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
PubChem CID18154107
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H22N2O4/c1-13(23)16-6-9-19(26-3)17(10-16)11-20(25)21-12-15-4-7-18(8-5-15)22-14(2)24/h4-10H,11-12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyLBWFXSWKIVVUPE-UHFFFAOYSA-N
XLogP2.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 30843339
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 18118896
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 18139669
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8535353
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446019
2-(5-acetyl-2-methoxyphenyl)-N-[4-[(S)-methylsulfinyl]phenyl]acetamide
CID 95982076
N-[(5-acetamido-2-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110784125
2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
CID 119404836
methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
CID 18106700
2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
CID 78791662
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534348
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide (CID 18154107) is N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide is COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide?
The InChIKey is LBWFXSWKIVVUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(23)16-6-9-19(26-3)17(10-16)11-20(25)21-12-15-4-7-18(8-5-15)22-14(2)24/h4-10H,11-12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide?
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide is sourced from PubChem (CID 18154107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).