methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate

C18H17NO4 — CID 163207822

IUPACmethyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H17NO4/c1-12(20)14-7-9-15(10-8-14)17(21)19-11-13-3-5-16(6-4-13)18(22)23-2/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyAYMDLBOOPCAYML-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.61
Rot. Bonds5

About methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate

methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate (PubChem CID 163207822) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
PubChem CID163207822
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namemethyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H17NO4/c1-12(20)14-7-9-15(10-8-14)17(21)19-11-13-3-5-16(6-4-13)18(22)23-2/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyAYMDLBOOPCAYML-UHFFFAOYSA-N
XLogP2.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
methyl (E)-3-[4-[[(4-acetylbenzoyl)amino]methyl]phenyl]prop-2-enoate
CID 163207808
methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate
CID 119103319
2-(4-acetylphenyl)-N-[(4-acetylphenyl)methyl]acetamide
CID 167869260
methyl 4-[(3-oxobutylcarbamoylamino)methyl]benzoate
CID 108895262
methyl 4-[[[4-[2-(4-fluorophenyl)oxolan-2-yl]benzoyl]amino]methyl]benzoate
CID 146260117
methyl 4-[[(1-aminocyclopropanecarbonyl)amino]methyl]benzoate
CID 65466652
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate
CID 17443095

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate (CID 163207822) is methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate?
The InChIKey is AYMDLBOOPCAYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-12(20)14-7-9-15(10-8-14)17(21)19-11-13-3-5-16(6-4-13)18(22)23-2/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate?
methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate has a molecular weight of 311.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate is sourced from PubChem (CID 163207822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).