methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate

C14H18N2O4 — CID 113061870

IUPACmethyl 2-[2-acetamidoethyl(acetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(CCNC(C)=O)C(C)=O
InChIInChI=1S/C14H18N2O4/c1-10(17)15-8-9-16(11(2)18)13-7-5-4-6-12(13)14(19)20-3/h4-7H,8-9H2,1-3H3,(H,15,17)
InChIKeyPQGIAKFWHBZDTH-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.96
Rot. Bonds5

About methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate

methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate (PubChem CID 113061870) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-acetamidoethyl(acetyl)amino]benzoate
PubChem CID113061870
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-[2-acetamidoethyl(acetyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(CCNC(C)=O)C(C)=O
InChIInChI=1S/C14H18N2O4/c1-10(17)15-8-9-16(11(2)18)13-7-5-4-6-12(13)14(19)20-3/h4-7H,8-9H2,1-3H3,(H,15,17)
InChIKeyPQGIAKFWHBZDTH-UHFFFAOYSA-N
XLogP0.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]benzoate
CID 113061873
methyl 2-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061889
methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061898
methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate
CID 113061902
methyl 2-[acetyl-[2-(3-phenoxypropanoylamino)ethyl]amino]benzoate
CID 113061903
methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113061891
methyl 2-[acetyl-[2-[[2-(3-methylphenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061916
methyl 2-[2-acetamidoethyl(methylsulfonyl)amino]benzoate
CID 113071138
methyl 2-[[3-(4-acetamidoanilino)-3-oxopropyl]-acetylamino]benzoate
CID 113131308
methyl 2-[3-acetamidopropanoyl(methyl)amino]benzoate
CID 43423098
ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate
CID 113064040
methyl 2-[acetyl-[3-oxo-3-(3-phenylpropylamino)propyl]amino]benzoate
CID 113131252

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate?
The IUPAC name of methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate (CID 113061870) is methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate.
What is the SMILES notation for methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate?
The canonical SMILES for methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate is COC(=O)c1ccccc1N(CCNC(C)=O)C(C)=O.
What is the InChIKey of methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate?
The InChIKey is PQGIAKFWHBZDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10(17)15-8-9-16(11(2)18)13-7-5-4-6-12(13)14(19)20-3/h4-7H,8-9H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate?
methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate has a molecular weight of 278.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate is sourced from PubChem (CID 113061870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).