methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate

C20H22N2O5 — CID 113061891

IUPACmethyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CCNC(=O)c1cccc(OC)c1)C(C)=O
InChIInChI=1S/C20H22N2O5/c1-14(23)22(18-10-5-4-9-17(18)20(25)27-3)12-11-21-19(24)15-7-6-8-16(13-15)26-2/h4-10,13H,11-12H2,1-3H3,(H,21,24)
InChIKeyLODKHCDCEKEGEE-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.26
Rot. Bonds7

About methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate

methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate (PubChem CID 113061891) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate
PubChem CID113061891
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namemethyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CCNC(=O)c1cccc(OC)c1)C(C)=O
InChIInChI=1S/C20H22N2O5/c1-14(23)22(18-10-5-4-9-17(18)20(25)27-3)12-11-21-19(24)15-7-6-8-16(13-15)26-2/h4-10,13H,11-12H2,1-3H3,(H,21,24)
InChIKeyLODKHCDCEKEGEE-UHFFFAOYSA-N
XLogP2.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
CID 113059178
N-[2-(N-acetyl-2-bromoanilino)ethyl]-3-methoxybenzamide
CID 113062736
methyl 2-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061889
methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate
CID 113061870
ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113064049
ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate
CID 113064040
N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide
CID 113059525
methyl 2-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]benzoate
CID 113061873
methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate
CID 113061902
methyl 2-[acetyl-[2-[[2-(3-methylphenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061916
methyl 2-[acetyl-[2-(3-phenoxypropanoylamino)ethyl]amino]benzoate
CID 113061903
methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061898

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate?
The IUPAC name of methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate (CID 113061891) is methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate?
The canonical SMILES for methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate is COC(=O)c1ccccc1N(CCNC(=O)c1cccc(OC)c1)C(C)=O.
What is the InChIKey of methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate?
The InChIKey is LODKHCDCEKEGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14(23)22(18-10-5-4-9-17(18)20(25)27-3)12-11-21-19(24)15-7-6-8-16(13-15)26-2/h4-10,13H,11-12H2,1-3H3,(H,21,24).
What are the key properties of methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate?
methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate has a molecular weight of 370.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate is sourced from PubChem (CID 113061891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).